%chk=000213675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213675

0 1
S 3.412322 1.911617 -0.455152
S 3.815288 -1.021511 -0.587281
N -1.184901 -0.196949 0.232449
N 1.674756 0.133089 0.501143
C -0.254713 -1.337410 -0.106758
C 1.033954 -1.190578 0.749528
C -0.520938 1.120958 -0.047751
C 0.746704 1.255178 0.817148
C -0.903294 -2.682034 0.235543
C -2.480583 -0.276521 -0.522170
C 2.850319 0.250909 -0.135010
C -3.493579 0.627755 0.128444
C -4.448314 1.257980 -0.551309
H 0.030275 -1.327801 -1.191999
H 0.789671 -1.258073 1.834908
H 1.734914 -2.029667 0.525749
H -1.234064 1.931951 0.225026
H -0.268381 1.263935 -1.121658
H 1.208454 2.254377 0.672225
H 0.481520 1.187549 1.900969
H -1.264735 -2.703364 1.272782
H -1.765574 -2.894612 -0.408752
H -0.194889 -3.509642 0.109585
H -2.868217 -1.323580 -0.463064
H -2.365558 -0.051279 -1.605539
H -3.398540 0.708818 1.214710
H -5.193109 1.882988 -0.079372
H -4.569791 1.201122 -1.622836
H 4.618404 1.598794 -0.998157


%chk=000213675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213675

0 1
S 3.474526 2.040615 -0.292659
S 3.997894 -1.014098 -0.418839
N -1.220405 -0.247238 0.203008
N 1.641585 0.146632 0.388807
C -0.290003 -1.369830 -0.136371
C 1.031188 -1.178906 0.648707
C -0.598025 1.062077 -0.117247
C 0.704702 1.259572 0.677087
C -0.871174 -2.751145 0.224031
C -2.575816 -0.365075 -0.404308
C 2.925677 0.271122 -0.066929
C -3.546590 0.633831 0.192668
C -4.370437 1.439859 -0.521827
H -0.038814 -1.351980 -1.228314
H 0.817677 -1.259362 1.733466
H 1.764586 -1.949281 0.362923
H -1.307382 1.864664 0.151244
H -0.373878 1.159086 -1.209884
H 1.159762 2.226428 0.412819
H 0.480982 1.258631 1.761573
H -1.266899 -2.744225 1.255987
H -1.678325 -3.061954 -0.460542
H -0.079730 -3.519290 0.159348
H -2.953138 -1.380760 -0.186188
H -2.552993 -0.252440 -1.517518
H -3.569723 0.653214 1.292436
H -5.083150 2.111629 -0.030784
H -4.360713 1.445563 -1.619358
H 4.726017 1.656660 -0.729937


