%chk=000232722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232722

0 1
S -4.571759 0.065812 -0.702247
N -2.048346 0.765731 -0.125486
N 0.820887 0.363548 -0.157733
C -1.372698 0.097546 -1.286100
C -1.115800 1.769689 0.489461
C -0.105738 -0.626549 -0.790877
C 0.149532 1.045776 0.991850
C -3.328684 1.395645 -0.522089
C 2.182075 -0.020282 0.008480
C 2.761317 -0.995569 -0.837787
C 3.011746 0.652808 0.936334
C -4.480917 -0.821863 0.892270
C 4.123945 -1.273773 -0.756339
C 4.372356 0.359321 1.001329
C 4.939027 -0.604692 0.162112
C -5.427116 -1.997101 0.781984
H -1.106997 0.809894 -2.097512
H -2.072773 -0.652168 -1.719770
H -1.627657 2.244885 1.353382
H -0.828303 2.579585 -0.216354
H -0.383968 -1.436299 -0.079627
H 0.401090 -1.105614 -1.659626
H 0.844201 1.794555 1.436604
H -0.119786 0.322431 1.794020
H -3.317948 1.935013 -1.493216
H -3.666822 2.109364 0.257492
H 2.149780 -1.522390 -1.567440
H 2.596717 1.413969 1.593391
H -3.435803 -1.142571 1.074154
H -4.761244 -0.140666 1.714955
H 4.557577 -2.024239 -1.417227
H 5.000384 0.888627 1.717795
H 5.999083 -0.829761 0.221280
H -6.463866 -1.682215 0.597753
H -5.146566 -2.681888 -0.030618
H -5.430226 -2.584961 1.710202


%chk=000232722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232722

0 1
S -4.679148 -0.018521 -0.811042
N -2.035009 0.801101 -0.299704
N 0.798331 0.282741 -0.144623
C -1.350260 0.071289 -1.388380
C -1.124295 1.774411 0.345526
C -0.117012 -0.658410 -0.835227
C 0.120779 1.061305 0.908601
C -3.346477 1.333500 -0.660667
C 2.172525 -0.043490 -0.002142
C 2.886245 -0.676790 -1.066648
C 2.904549 0.282147 1.180591
C -4.643702 -0.640159 0.982829
C 4.259889 -0.963254 -0.949949
C 4.284140 0.000105 1.280690
C 4.978172 -0.626254 0.222378
C -5.288484 -2.030944 1.069245
H -1.034218 0.767772 -2.204799
H -2.060556 -0.663622 -1.808464
H -1.658900 2.273957 1.175176
H -0.785967 2.561384 -0.373567
H -0.460624 -1.445610 -0.125277
H 0.408801 -1.158362 -1.662464
H 0.811099 1.832774 1.290889
H -0.186224 0.411839 1.762044
H -3.383436 1.838403 -1.652473
H -3.672510 2.049183 0.113539
H 2.375794 -0.918993 -2.004244
H 2.399516 0.734868 2.038823
H -3.578115 -0.661775 1.270399
H -5.180337 0.093411 1.609934
H 4.776668 -1.442744 -1.789733
H 4.814529 0.262178 2.203934
H 6.047120 -0.847585 0.306383
H -6.339683 -2.013519 0.729280
H -4.739148 -2.760446 0.448406
H -5.277355 -2.390292 2.115535


