%chk=000035546.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035546

0 1
 S    2.964600      -1.845100      0.2413000    
 S  -0.5206000       1.984400      -1.041900    
 S    3.691000     -0.1006000       2.528400    
 S  -0.8616000       3.198500       1.640200    
 N   -1.962400      -2.720300     -5.3800002E-02
 N    4.300000      0.5100000     -9.0499997E-02
 N   -2.974100       2.318800      0.1019000    
 N   -1.235300     -0.5376000     -0.5063000    
 N   0.3337000      -2.259100      7.0699997E-02
 N    1.108000     -3.4600001E-02 -0.3877000    
 C   -3.328800      -2.304000     -0.2953000    
 C   -1.693900      -4.101100      0.2929000    
 C  -0.9031000      -1.794100     -0.1685000    
 C    4.343900      0.2412000      -1.530500    
 C    4.962300       1.757800      0.2959000    
 C   -3.577700       1.750900      -1.106800    
 C   -3.952300       2.725800       1.113000    
 C   -3.672500      -2.465800      -1.763500    
 C   -1.706500      -4.273200       1.799700    
 C    3.717600     -0.3551000      0.8568000    
 C   -1.588800       2.503600      0.2808000    
 C    5.619300     -0.4989000      -1.885100    
 C    3.966700       2.901900      0.2867000    
 C   -3.914500       2.855000      -2.090600    
 C   -4.224800       1.579000       2.067400    
 C    1.288500      -1.323600     -5.7700001E-02
 C  -0.1789000      0.2863000     -0.5974000    
 H   -3.514200      -1.274900      3.3599999E-02
 H   -4.015900      -2.924000      0.2941000    
 H  -0.7468000      -4.458900     -0.1279000    
 H   -2.466100      -4.750500     -0.1383000    
 H    4.296900       1.191600      -2.074600    
 H    3.479000     -0.3364000      -1.861600    
 H    5.783200       1.968700     -0.3986000    
 H    5.415900       1.668300       1.286600    
 H   -2.923000       1.028600      -1.593500    
 H   -4.484700       1.200600     -0.8317000    
 H   -3.597600       3.596800       1.670600    
 H   -4.882000       3.034700      0.6219000    
 H   -4.713100      -2.177800      -1.942500    
 H   -3.547100      -3.503300      -2.090700    
 H   -3.035500      -1.837700      -2.394900    
 H   -1.532900      -5.321300       2.062900    
 H   -2.668900      -3.971900       2.226700    
 H  -0.9269000      -3.671300       2.278100    
 H    6.508800      8.5800000E-02  -1.629100    
 H    5.690400      -1.455100      -1.357100    
 H    5.650500     -0.7030000      -2.960000    
 H    3.534300       3.046400     -0.7088000    
 H    3.139600       2.725600      0.9813000    
 H    4.459900       3.834500      0.5779000    
 H   -4.361700       2.430700      -2.995100    
 H   -3.023200       3.417500      -2.386200    
 H   -4.628800       3.568000      -1.666500    
 H   -4.949800       1.884900       2.828300    
 H   -3.314600       1.251600       2.579400    
 H   -4.636000      0.7115000       1.540800    


%chk=000035546-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035546

0 1
S 3.105068 -1.974414 0.003207
S -0.383915 2.164744 0.321094
S 4.676373 -0.489510 2.200702
S -2.460908 2.445110 2.597874
N -1.854729 -2.739071 0.485492
N 4.384100 0.481357 -0.344790
N -3.132530 2.301616 -0.052244
N -1.174328 -0.474695 0.362425
N 0.451828 -2.297742 0.283475
N 1.201993 0.009534 0.192245
C -3.261840 -2.308542 0.653029
C -1.555980 -4.192772 0.507558
C -0.844200 -1.825236 0.374057
C 3.854940 0.480489 -1.736920
C 5.207322 1.671148 0.023931
C -2.870695 2.026455 -1.493518
C -4.555598 2.574843 0.301815
C -4.027863 -2.270403 -0.686781
C -1.265420 -4.712174 1.931230
C 4.120584 -0.464351 0.598292
C -2.188680 2.269905 0.933166
C 4.828533 -0.181569 -2.732288
C 4.347598 2.799038 0.630009
C -2.590521 3.308145 -2.303432
C -5.325674 1.294525 0.682980
C 1.405834 -1.342331 0.177850
C -0.115579 0.361030 0.298440
H -3.261338 -1.309117 1.116251
H -3.744830 -3.015995 1.353042
H -0.681775 -4.374477 -0.137806
H -2.428140 -4.714070 0.070634
H 3.676714 1.536787 -2.009798
H 2.876764 -0.021113 -1.746871
H 5.718499 2.012216 -0.895198
H 5.967911 1.341398 0.752541
H -2.029191 1.321296 -1.571777
H -3.767105 1.511454 -1.886826
H -4.559744 3.280585 1.150619
H -5.020622 3.066996 -0.572191
H -5.087637 -2.007442 -0.513590
H -3.999758 -3.250531 -1.196638
H -3.583318 -1.516122 -1.359401
H -1.098815 -5.804604 1.910269
H -2.106712 -4.506453 2.618003
H -0.357274 -4.231595 2.332088
H 5.823867 0.298022 -2.706005
H 4.952767 -1.252807 -2.498019
H 4.433810 -0.094355 -3.761143
H 3.561065 3.131347 -0.071020
H 3.861405 2.452286 1.556603
H 4.987419 3.666959 0.872298
H -2.470351 3.059271 -3.373664
H -1.662433 3.790817 -1.952777
H -3.418418 4.034523 -2.212787
H -6.378858 1.544325 0.905303
H -4.878352 0.839253 1.582600
H -5.311765 0.555819 -0.138436


