%chk=000040930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040930

0 1
 O   -1.601700       2.348000       1.610600    
 O    3.928400       1.415200       1.868400    
 O    5.802300      0.4040000       1.073100    
 N   0.8506000      -2.479600      -1.797500    
 C   -1.010900     -8.7300003E-02  0.2380000    
 C  -2.9500000E-02 -0.9369000     -0.4663000    
 C    1.386400     -0.8822000     -0.3351000    
 C   -1.196600       1.254700     -0.4831000    
 C   -2.267200     -0.9160000      0.5396000    
 C    1.914200      -1.860300      -1.180800    
 C  -0.3282000      -1.928400      -1.372100    
 C    2.272200     -9.2200004E-02  0.4240000    
 C   -1.479100       2.379500      0.2541000    
 C   -1.069900       1.268800      -1.852200    
 C    3.289300      -2.088700      -1.305600    
 C   -2.310100      -1.637100       1.708100    
 C   -3.295200     -0.9009000     -0.3716000    
 C    3.650100     -0.3093000      0.3092000    
 C    4.148600      -1.292700     -0.5428000    
 C   -1.644800       3.591000     -0.4173000    
 C   -1.235700       2.480400      -2.523300    
 C   -3.451800      -2.390000       1.982400    
 C   -4.436900      -1.653800     -9.7199999E-02
 C   -1.523200       3.641400      -1.805800    
 C   -4.515100      -2.398400       1.079900    
 C    4.571300      0.5025000       1.089800    
 C  -0.4170000       2.568100       2.373500    
 H  -0.5611000      0.1422000       1.213500    
 H   -1.261100      -2.301600      -1.770300    
 H   0.9295000      -3.231100      -2.468600    
 H    1.858900      0.6645000       1.081400    
 H  -0.8759000      0.3955000      -2.461700    
 H    3.678000      -2.854100      -1.968900    
 H   -1.486400      -1.637400       2.415000    
 H   -3.261400     -0.3407000      -1.298600    
 H    5.219500      -1.461300     -0.6317000    
 H   -1.869800       4.499400      0.1351000    
 H   -1.147500       2.519200      -3.605200    
 H   -3.512500      -2.970300       2.898500    
 H   -5.264200      -1.662500     -0.8008000    
 H   -1.653900       4.584400      -2.328600    
 H   -5.403800      -2.985200       1.293100    
 H   0.4926000       2.487200       1.769800    
 H  -0.3787000       1.829000       3.178300    
 H  -0.4643000       3.567600       2.815500    
 H    4.557500       1.957800       2.390100    


%chk=000040930-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040930

0 1
O -1.445361 1.927969 1.925896
O 4.334104 1.661390 1.029224
O 6.122342 0.541604 0.064876
N 0.937077 -2.981597 -1.587982
C -0.821124 -0.290466 0.379691
C 0.111834 -1.231253 -0.365117
C 1.559942 -1.101045 -0.459456
C -0.891005 1.107773 -0.251474
C -2.216804 -0.916607 0.562423
C 2.047312 -2.217360 -1.232397
C -0.225944 -2.387051 -1.063882
C 2.483361 -0.155249 0.040444
C -1.234882 2.224541 0.566868
C -0.657135 1.339835 -1.623460
C 3.421736 -2.404037 -1.511574
C -2.479109 -1.721219 1.699695
C -3.239557 -0.755362 -0.404826
C 3.860100 -0.338077 -0.230713
C 4.320157 -1.454685 -1.002555
C -1.341278 3.525226 0.020672
C -0.762597 2.634098 -2.185623
C -3.731825 -2.350834 1.869924
C -4.495309 -1.384415 -0.239333
C -1.106737 3.724058 -1.359743
C -4.746724 -2.185709 0.897843
C 4.882317 0.610771 0.265797
C -1.793733 3.032294 2.820872
H -0.408215 -0.151774 1.399316
H -1.205241 -2.836471 -1.212863
H 0.960741 -3.842600 -2.129684
H 2.156623 0.711376 0.621682
H -0.373652 0.489788 -2.254567
H 3.778883 -3.255497 -2.100683
H -1.695404 -1.849532 2.456670
H -3.058726 -0.122152 -1.280698
H 5.395907 -1.544494 -1.183983
H -1.601844 4.379991 0.652007
H -0.571854 2.786754 -3.253028
H -3.918452 -2.964347 2.758917
H -5.277345 -1.244265 -0.994696
H -1.188956 4.732731 -1.780089
H -5.721340 -2.669546 1.029148
H -0.991288 3.795073 2.850804
H -1.906724 2.572178 3.813506
H -2.747399 3.507315 2.519680
H 5.079033 2.253279 1.318371


