%chk=000187626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187626

0 1
S -1.004041 -1.389988 0.039154
O -2.694901 1.378048 2.397188
O -0.977395 -2.102357 1.302336
O -0.196735 -1.900493 -1.061678
O 5.886366 0.429444 0.114413
N -0.530894 0.229289 0.388140
C -1.268972 1.703384 2.268204
C -0.352170 0.576396 1.818437
C -2.293959 2.356396 1.385221
C 0.283666 1.057118 -0.553854
C 1.778469 0.823808 -0.400603
C -0.173298 0.850454 -1.999790
C -2.631871 -1.216332 -0.513649
C 2.573054 1.849537 0.144501
C 2.382642 -0.377051 -0.792072
C -3.613992 -0.699213 0.335348
C -2.965140 -1.622736 -1.811217
C 3.943958 1.684865 0.302098
C 3.758685 -0.571772 -0.644451
C 4.525618 0.463265 -0.096889
C -4.934323 -0.586234 -0.115147
C -4.282365 -1.510388 -2.261151
C -5.267316 -0.993001 -1.410120
C 6.595710 -0.781516 -0.242635
H -0.891735 2.256179 3.138339
H -0.558928 -0.318157 2.469983
H 0.706497 0.861199 2.033106
H -2.439892 2.020019 0.359346
H -2.632197 3.369651 1.585804
H 0.060399 2.129676 -0.277240
H 0.345872 1.552720 -2.664236
H -1.249453 1.012902 -2.119309
H 0.060270 -0.159711 -2.377876
H 2.113926 2.791321 0.446258
H 1.770625 -1.186063 -1.218963
H -3.358701 -0.368217 1.355276
H -2.192867 -2.032492 -2.473033
H 4.572323 2.466696 0.719967
H 4.203903 -1.512411 -0.950552
H -5.699036 -0.184530 0.548506
H -4.543801 -1.828756 -3.268681
H -6.296872 -0.908983 -1.759766
H 6.513682 -0.966647 -1.317418
H 7.626734 -0.528254 0.036139
H 6.226355 -1.626169 0.346266


%chk=000187626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187626

0 1
S -1.081639 -1.461082 0.067373
O -2.630095 1.320003 2.559144
O -1.184811 -2.161809 1.538379
O -0.182345 -2.198997 -1.089464
O 5.982388 0.528310 0.012055
N -0.630658 0.395852 0.423220
C -1.140402 1.584049 2.547674
C -0.254218 0.560735 1.843943
C -2.061518 2.516015 1.824513
C 0.259680 1.094512 -0.578607
C 1.770408 0.878576 -0.419073
C -0.237380 0.880754 -2.025338
C -2.819644 -1.262030 -0.640928
C 2.595354 1.974132 -0.047302
C 2.387395 -0.376618 -0.647130
C -3.781855 -0.592919 0.134373
C -3.071845 -1.849071 -1.890298
C 3.989270 1.833017 0.085749
C 3.783685 -0.537474 -0.512917
C 4.589058 0.571043 -0.147786
C -5.089574 -0.510182 -0.399320
C -4.387775 -1.753132 -2.400625
C -5.390247 -1.087608 -1.656733
C 6.650599 -0.755868 -0.215411
H -0.761325 1.890433 3.533786
H -0.370500 -0.413583 2.364903
H 0.807398 0.865044 1.946240
H -2.132711 2.430992 0.733694
H -2.312606 3.488309 2.265120
H 0.064906 2.161776 -0.328870
H 0.284623 1.587766 -2.692848
H -1.323761 1.069145 -2.095776
H -0.027182 -0.140624 -2.381895
H 2.141672 2.957626 0.133327
H 1.771485 -1.240782 -0.924616
H -3.521461 -0.138995 1.099065
H -2.269529 -2.359926 -2.432281
H 4.627525 2.675522 0.368600
H 4.225649 -1.522153 -0.692748
H -5.869289 0.004814 0.171547
H -4.625302 -2.200410 -3.371415
H -6.407914 -1.019755 -2.056631
H 6.504924 -1.106979 -1.255356
H 7.717777 -0.559077 -0.036459
H 6.289692 -1.528455 0.490821


