%chk=000210808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210808

0 1
S 2.500342 -1.242943 0.757780
O 0.342057 1.200665 -1.435858
N -0.328181 -0.167423 0.276132
N 4.382401 0.376675 -0.072565
N 5.202032 -1.452442 1.269622
C -1.746282 -0.084526 0.003798
C -2.441144 1.141257 0.098636
C -2.430637 -1.281100 -0.316617
C -1.759438 2.441479 0.428187
C -1.712254 -2.599366 -0.440907
C -3.828212 1.145395 -0.121275
C -3.815568 -1.240066 -0.520377
C -4.509975 -0.032420 -0.424971
C -1.397261 2.535107 1.909066
C -1.638461 -3.325028 0.902174
C 0.648480 0.449481 -0.519649
C 2.035818 0.156135 -0.157620
C 3.150592 0.894991 -0.518231
C 3.163651 2.144436 -1.304355
C 4.218379 -0.751333 0.628156
H -0.849084 2.558897 -0.205204
H -2.405995 3.298218 0.147478
H -2.229198 -3.242366 -1.184481
H -0.694073 -2.454137 -0.858289
H -4.378158 2.082808 -0.051320
H -4.353419 -2.155325 -0.760000
H -0.082534 -0.794338 1.039929
H -5.585908 -0.010523 -0.590264
H -2.282781 2.424590 2.545414
H -0.937810 3.502251 2.140615
H -0.684845 1.753568 2.198126
H -1.105876 -2.736924 1.656938
H -1.122849 -4.286784 0.804015
H -2.641433 -3.525484 1.300129
H 3.992750 2.168001 -2.029651
H 2.214919 2.279179 -1.865758
H 3.287766 3.024958 -0.653262
H 5.038005 -2.406025 1.552289
H 6.168584 -1.203239 1.089767


%chk=000210808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210808

0 1
S 2.405135 -0.649109 1.427632
O 0.312637 1.498511 -1.353689
N -0.370242 -0.128207 0.188945
N 4.380635 0.286743 -0.127834
N 5.169547 -0.968729 1.744860
C -1.793439 -0.028583 -0.020047
C -2.491364 1.189465 0.235719
C -2.482658 -1.203439 -0.448690
C -1.806850 2.435467 0.779408
C -1.742777 -2.510624 -0.705563
C -3.891988 1.208278 0.018001
C -3.885089 -1.142506 -0.628847
C -4.590535 0.058205 -0.405882
C -1.376146 2.293820 2.264589
C -1.530891 -3.358225 0.580064
C 0.608024 0.626430 -0.473477
C 2.006284 0.336032 -0.082721
C 3.187527 0.724174 -0.723576
C 3.297258 1.542135 -1.981538
C 4.175816 -0.428492 0.968946
H -0.929040 2.685394 0.158536
H -2.508484 3.286618 0.693787
H -2.322040 -3.114575 -1.428098
H -0.763111 -2.306971 -1.178300
H -4.437677 2.142014 0.199468
H -4.418138 -2.039841 -0.965906
H -0.048977 -0.941088 0.721841
H -5.674043 0.099141 -0.563460
H -2.247986 2.092363 2.913667
H -0.892448 3.223700 2.616234
H -0.655028 1.467355 2.392571
H -0.933007 -2.821695 1.342156
H -1.004677 -4.301906 0.346948
H -2.500775 -3.607662 1.046353
H 3.875549 0.982894 -2.739287
H 2.303178 1.799774 -2.370901
H 3.855062 2.473088 -1.769956
H 4.970565 -1.513338 2.578489
H 6.134594 -0.800313 1.467158


