%chk=000064537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064537

0 1
 S    6.317700      -1.017000     -0.5015000    
 P    8.085200     -0.1470000      0.2079000    
 O    9.345600      -1.018000     -0.3262000    
 O    8.327100       1.268300     -0.5479000    
 O    8.067100     -1.0600000E-02   1.706100    
 N   -2.274400       1.254100      6.8999999E-03
 N    1.220200      3.0600000E-02 -0.4078000    
 C   -3.555600      0.5506000      3.0600000E-02
 C   -5.018900      -1.022200       1.363800    
 C   -5.027200      -1.128100      -1.155500    
 C   -6.066700      0.8413000      2.6900001E-02
 C   -3.667400     -0.2858000       1.325200    
 C   -3.675800     -0.3911000      -1.187700    
 C   -4.712500       1.573000     -8.6000003E-03
 C   -5.124900      -1.949700      0.1412000    
 C   -6.159000      9.3999999E-03   1.317400    
 C   -6.167400     -9.6299998E-02  -1.188400    
 C   -1.204600      0.3631000     -0.4148000    
 C   0.1488000      0.9329000     -5.0000002E-04
 C    2.516900      0.5421000      1.2300000E-02
 C    3.631500     -0.4081000     -0.4272000    
 C    4.994400      0.1084000      2.7700000E-02
 H   -5.092400      -1.612500       2.284100    
 H   -5.107400      -1.793700      -2.022400    
 H   -6.882500       1.572200     -1.2000001E-03
 H   -2.865100      -1.028100       1.406800    
 H   -3.580500      0.3638000       2.206600    
 H   -3.595000      0.1756000      -2.125200    
 H   -2.909000      -1.173600      -1.215000    
 H   -4.645200       2.262100      0.8437000    
 H   -4.653900       2.187700     -0.9168000    
 H   -4.326300      -2.701100      0.1706000    
 H   -6.076100      -2.495500      0.1673000    
 H   -7.128400     -0.5019000       1.364300    
 H   -6.104000      0.6683000       2.192600    
 H   -6.118600      0.4866000      -2.116300    
 H   -7.136800     -0.6096000      -1.185600    
 H   -2.314300       2.048000     -0.6319000    
 H   -1.206900      0.2409000      -1.505500    
 H   -1.276500     -0.6279000      4.7400001E-02
 H   0.1678000       1.073600       1.087900    
 H   0.2906000       1.914900     -0.4689000    
 H    1.067300     -0.8928000     -3.1000001E-03
 H    2.545100      0.6537000       1.103200    
 H    2.692800       1.529700     -0.4312000    
 H    3.613400     -0.5093000      -1.520300    
 H    3.451100      -1.404600     -3.0000000E-03
 H    5.191700       1.098100     -0.3966000    
 H    5.028000      0.1944000       1.118500    
 H    10.24130     -0.8102000      1.5699999E-02
 H    9.056600       1.848100     -0.2415000    


%chk=000064537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064537

0 1
S 6.849285 0.730203 -1.238018
P 7.153368 -0.650128 0.528494
O 7.246253 -2.301976 -0.018682
O 8.841838 -0.478737 0.789689
O 6.143040 -0.416462 1.736576
N -2.199761 1.132907 -0.105258
N 1.543091 0.717832 -0.458051
C -3.446210 0.318684 -0.008539
C -4.752800 -1.337786 1.429079
C -5.038835 -1.372189 -1.091894
C -5.978284 0.551129 0.269487
C -3.413744 -0.566910 1.269941
C -3.700646 -0.597857 -1.249719
C -4.634855 1.313034 0.118357
C -4.977824 -2.246820 0.189698
C -5.924808 -0.327223 1.548812
C -6.206662 -0.355812 -0.970779
C -0.921505 0.437332 -0.371861
C 0.261711 1.406990 -0.179912
C 2.743594 1.575051 -0.364597
C 4.001926 0.773415 -0.768072
C 5.280142 1.598052 -0.577452
H -4.705943 -1.962183 2.343377
H -5.198454 -2.018778 -1.977881
H -6.805510 1.283488 0.353549
H -2.579083 -1.294224 1.213806
H -3.226451 0.084625 2.145302
H -3.728934 0.027981 -2.166394
H -2.863132 -1.314097 -1.367877
H -4.456602 1.971000 0.991137
H -4.668485 1.961554 -0.783648
H -4.155376 -2.986049 0.106588
H -5.920729 -2.818468 0.304626
H -6.883280 -0.869195 1.678159
H -5.785047 0.312039 2.443609
H -6.266693 0.263403 -1.888746
H -7.171315 -0.893594 -0.875142
H -2.335903 1.911099 -0.768630
H -0.841313 -0.008708 -1.390397
H -0.820317 -0.394534 0.352422
H 0.199989 1.845053 0.844870
H 0.167975 2.249365 -0.896221
H 1.646185 -0.119011 0.135284
H 2.890613 2.012803 0.655863
H 2.608218 2.427323 -1.060490
H 3.896146 0.447494 -1.818380
H 4.065835 -0.136006 -0.137865
H 5.263742 2.539529 -1.155704
H 5.465203 1.829328 0.484588
H 6.379287 -2.776212 -0.089251
H 9.287958 -1.320956 1.070246


