%chk=000045827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045827

0 1
 O  -0.2608000       1.925900      -1.299700    
 O  -0.2817000       2.104400       2.035600    
 N    4.097000     -0.4160000     -0.6172000    
 N    1.437100      0.5607000     -0.4895000    
 C    3.877400       1.020800     -0.8567000    
 C    3.340400     -0.6404000      0.6264000    
 C    4.027900       1.676800      0.5207000    
 C    3.671700      0.5677000       1.510600    
 C    2.438300       1.162800      -1.382700    
 C    1.848200     -0.6504000      0.2443000    
 C  -0.8600000      0.3815000      0.3997000    
 C   -2.201500       1.067400      0.1477000    
 C   0.1224000       1.029600     -0.5438000    
 C   -2.650900      0.8616000      -1.305100    
 C   -3.265400      0.5530000       1.126800    
 C   -4.016000       1.493400      -1.567800    
 C   -4.629600       1.185200      0.8600000    
 C    5.510600     -0.7607000     -0.4920000    
 C  -0.3978000      0.6977000       1.841300    
 C  -0.9992000      -1.128500      0.1728000    
 C   -5.068800      0.9863000     -0.5873000    
 C  -0.8049000      -1.621600      -1.095300    
 C   -1.313000      -1.926700       1.246800    
 C  -0.9320000      -2.995400      -1.301900    
 C   -1.440000      -3.300400       1.040300    
 C   -1.249500      -3.834600     -0.2340000    
 H    4.570600       1.443900      -1.592200    
 H    3.593800      -1.590000       1.111300    
 H    3.382600       2.552800      0.6450000    
 H    5.062400       1.999500      0.6868000    
 H    4.537900      0.3542000       2.148100    
 H    2.845400      0.8589000       2.165700    
 H    2.194300       2.219800      -1.539800    
 H    2.336600      0.6604000      -2.353100    
 H    1.729400      -1.474800     -0.4715000    
 H    1.277800     -0.9433000       1.111400    
 H   -2.116500       2.152500      0.3088000    
 H   -2.806700     -0.2027000      -1.509000    
 H   -2.003000       1.219300      -2.102400    
 H   -3.017300      0.7809000       2.166400    
 H   -3.414700     -0.5268000       1.046300    
 H   -4.337100       1.269900      -2.592000    
 H   -3.934900       2.584600      -1.489800    
 H   -4.584600       2.258400       1.083200    
 H   -5.377200      0.7512000       1.534000    
 H    6.032600     -0.2184000      0.3029000    
 H    6.029900     -0.5595000      -1.435500    
 H    5.618700      -1.833300     -0.2969000    
 H   0.5478000      0.2913000       2.183600    
 H   -1.103500      0.3736000       2.607600    
 H   -6.015900       1.509600     -0.7603000    
 H   -5.255100     -7.9400003E-02 -0.7690000    
 H  -0.5597000     -0.9993000      -1.949400    
 H   -1.483600      -1.568700       2.253300    
 H   0.5016000       2.408200       1.546300    
 H  -0.7843000      -3.411600      -2.294200    
 H   -1.690000      -3.954400       1.870600    
 H   -1.349100      -4.904000     -0.3949000    


%chk=000045827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045827

0 1
O 0.128381 2.194390 -0.633353
O -0.326440 2.104146 2.227147
N 4.300537 -0.327913 -0.723616
N 1.474704 0.312488 -0.636224
C 3.831377 1.079535 -0.945959
C 3.463813 -0.705790 0.460596
C 3.773691 1.739222 0.478637
C 3.552454 0.520985 1.437058
C 2.419397 0.994672 -1.567044
C 2.014358 -0.939221 -0.044801
C -0.832381 0.279809 0.546588
C -2.216266 0.988781 0.184499
C 0.293076 0.960391 -0.307294
C -2.623573 0.880030 -1.308713
C -3.396275 0.512970 1.073243
C -3.884011 1.731291 -1.597869
C -4.670343 1.348957 0.792515
C 5.759218 -0.451980 -0.496816
C -0.447098 0.664227 2.025792
C -0.966236 -1.238287 0.347285
C -5.068321 1.303513 -0.700657
C -0.889413 -1.803022 -0.955923
C -1.249024 -2.114257 1.428819
C -1.080082 -3.183890 -1.168944
C -1.435984 -3.499937 1.220498
C -1.353385 -4.044261 -0.080090
H 4.504436 1.602669 -1.647131
H 3.831951 -1.647115 0.904984
H 2.953191 2.473534 0.545652
H 4.716292 2.266612 0.706749
H 4.401374 0.396677 2.132340
H 2.640691 0.637640 2.047263
H 2.011304 1.995018 -1.778202
H 2.478875 0.407227 -2.503462
H 2.034735 -1.737888 -0.810152
H 1.375004 -1.272901 0.783498
H -2.051478 2.064541 0.391938
H -2.845480 -0.175627 -1.563978
H -1.793873 1.220908 -1.954293
H -3.147018 0.603793 2.147176
H -3.607994 -0.557228 0.875021
H -4.160663 1.640633 -2.666684
H -3.651101 2.800439 -1.415713
H -4.483299 2.401802 1.088530
H -5.503851 0.981550 1.422918
H 6.151986 0.139737 0.364109
H 6.292712 -0.125006 -1.406950
H 6.008366 -1.514020 -0.323254
H 0.503618 0.159198 2.302159
H -1.225073 0.329763 2.731154
H -5.946213 1.953647 -0.883362
H -5.371665 0.269289 -0.966271
H -0.660096 -1.156563 -1.809966
H -1.331777 -1.725559 2.448775
H -0.106026 2.540766 1.355795
H -1.012698 -3.588652 -2.185227
H -1.651037 -4.151026 2.075582
H -1.499268 -5.117809 -0.243073


