%chk=000279441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279441

0 1
S -1.562332 -1.953990 0.007796
O 3.449682 -2.191009 -0.024444
N -0.906767 1.098009 0.024747
C 0.099247 0.270619 0.012893
C 1.468799 0.861213 0.008540
C 0.015940 -1.201275 0.003292
C 2.599490 0.019819 -0.004140
C 1.081811 -2.025788 -0.008898
C 2.475163 -1.466138 -0.013548
C -2.263388 0.702361 0.030320
C -2.697183 -0.633339 0.023859
C 1.649899 2.252951 0.016942
C 3.886820 0.575443 -0.008231
C 0.973578 -3.507574 -0.018443
C 2.937594 2.797773 0.012770
C 4.057549 1.961952 0.000197
C -3.224843 1.741038 0.043288
C -4.061184 -0.949647 0.030103
C -4.578341 1.424042 0.049424
C -4.997538 0.082322 0.042880
H 0.777861 2.913985 0.026807
H 4.753432 -0.093974 -0.018119
H 1.968942 -3.989277 -0.027957
H 0.435196 -3.875470 -0.906212
H 0.446260 -3.887712 0.870792
H 3.065226 3.880798 0.019383
H 5.060284 2.387802 -0.003040
H -2.886876 2.778842 0.048293
H -4.391062 -1.989459 0.025071
H -5.323103 2.219940 0.059387
H -6.062358 -0.149656 0.047848


%chk=000279441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279441

0 1
S -1.599443 -2.055805 0.006432
O 3.544156 -2.226363 -0.024621
N -0.919976 1.088697 0.024546
C 0.110556 0.242742 0.012381
C 1.468546 0.841409 0.008237
C 0.035093 -1.229664 0.002608
C 2.625533 0.009922 -0.004256
C 1.146126 -2.059820 -0.009601
C 2.506871 -1.476837 -0.013474
C -2.265962 0.701670 0.030226
C -2.742342 -0.645403 0.023752
C 1.628608 2.253606 0.016749
C 3.917484 0.594527 -0.008076
C 1.026078 -3.564788 -0.019168
C 2.914277 2.824519 0.012872
C 4.065578 1.993389 0.000410
C -3.228403 1.754981 0.043639
C -4.127098 -0.925439 0.030554
C -4.605711 1.481355 0.050393
C -5.056339 0.135390 0.043848
H 0.727820 2.872539 0.026274
H 4.781617 -0.077069 -0.017740
H 2.032221 -4.011710 -0.027590
H 0.469344 -3.919978 -0.908970
H 0.478827 -3.931951 0.871650
H 3.025931 3.914250 0.019472
H 5.065365 2.440749 -0.002614
H -2.841499 2.778371 0.048402
H -4.476968 -1.963797 0.025490
H -5.329859 2.302105 0.060685
H -6.128631 -0.086994 0.049092


