%chk=000218014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218014

0 1
S 0.803615 3.009496 1.468494
N 1.811742 -0.450691 -0.017048
N 4.249484 -2.047678 0.035994
C 0.676161 0.330959 0.610134
C 3.148510 0.170237 0.273358
C 1.821359 -1.865489 0.492361
C 4.253067 -0.627775 -0.448507
C 2.911776 -2.665996 -0.245236
C -0.661364 -0.250736 0.081886
C 0.775187 1.772097 0.225249
C -1.874117 0.367223 0.788970
C 5.334790 -2.828121 -0.629947
C 0.831055 2.355184 -1.003326
C -3.146631 -0.282924 0.316814
C 0.895764 3.800704 -0.955438
C 0.888295 4.306656 0.305607
C -3.786898 0.180502 -0.843349
C -3.698314 -1.360033 1.027297
C -4.966092 -0.425649 -1.283350
C -4.878487 -1.962442 0.582988
C -5.515122 -1.497531 -0.571879
H 0.693236 0.232658 1.730785
H 3.370621 0.219716 1.361592
H 3.153636 1.211892 -0.114247
H 0.827880 -2.323713 0.285261
H 1.992962 -1.924916 1.589782
H 4.112775 -0.545439 -1.548414
H 5.240952 -0.181896 -0.205341
H 2.923090 -3.708564 0.137111
H 2.673374 -2.711744 -1.330272
H -0.671074 -1.353207 0.214775
H -0.730135 -0.090554 -1.012836
H -1.771131 0.269026 1.888373
H -1.908580 1.461400 0.599521
H 6.307327 -2.378866 -0.371978
H 5.261041 -2.888488 -1.725605
H 5.338159 -3.852879 -0.225175
H 0.838270 1.810271 -1.939167
H 0.944055 4.390813 -1.861122
H 0.925630 5.333702 0.621519
H -3.363206 1.013300 -1.401206
H -3.208312 -1.727737 1.925933
H -5.459136 -0.061644 -2.183140
H -5.303122 -2.796474 1.138988
H -6.433692 -1.967053 -0.915512


%chk=000218014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218014

0 1
S 0.624256 3.050939 1.478547
N 1.852126 -0.441368 -0.008498
N 4.261748 -2.087494 -0.029421
C 0.694763 0.291417 0.603908
C 3.147839 0.051617 0.538971
C 1.785175 -1.920905 0.137671
C 4.332358 -0.614946 -0.173861
C 2.977970 -2.586977 -0.569371
C -0.671923 -0.305995 0.154967
C 0.785773 1.757321 0.221161
C -1.898101 0.494555 0.672287
C 5.427091 -2.770638 -0.620538
C 0.955653 2.319911 -1.035219
C -3.204388 -0.198172 0.310177
C 0.958108 3.764604 -1.038401
C 0.790225 4.321133 0.219318
C -3.844701 0.063010 -0.929219
C -3.788828 -1.153421 1.181894
C -5.032787 -0.612055 -1.289863
C -4.976607 -1.831901 0.826571
C -5.602826 -1.564347 -0.413003
H 0.734016 0.216058 1.724998
H 3.223214 -0.157334 1.635749
H 3.200240 1.144212 0.393632
H 0.860086 -2.297713 -0.328507
H 1.787040 -2.225884 1.214995
H 4.324790 -0.307152 -1.251635
H 5.277637 -0.258131 0.276835
H 2.925919 -3.681003 -0.411419
H 2.892363 -2.393163 -1.670418
H -0.765212 -1.342473 0.528325
H -0.694515 -0.348580 -0.951116
H -1.818040 0.603653 1.772335
H -1.873262 1.513825 0.246160
H 6.354106 -2.402294 -0.145198
H 5.519815 -2.614036 -1.726027
H 5.356473 -3.857621 -0.434512
H 1.098321 1.703067 -1.925530
H 1.082566 4.367131 -1.941854
H 0.748703 5.368482 0.512757
H -3.410348 0.804970 -1.611290
H -3.311986 -1.360996 2.148474
H -5.515422 -0.393593 -2.249523
H -5.415592 -2.563136 1.515223
H -6.525438 -2.086979 -0.689834


