%chk=000187718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187718

1 1
S 2.489017 2.389641 0.252291
N 1.267206 0.156605 1.047548
C -1.040074 -0.454080 0.612650
C 2.595302 -0.202789 1.654408
C -1.242864 0.781182 -0.071668
C 0.214339 -0.738052 1.147490
C 1.087017 1.345086 0.379285
C -0.158019 1.660662 -0.175606
C 3.704303 -0.153973 0.640701
C -2.109809 -1.463115 0.763700
C -2.540909 1.151543 -0.661695
C 3.660156 -0.969573 -0.501877
C 4.820464 0.667553 0.866496
C -2.529673 -1.847723 2.047693
C -2.691844 -2.043547 -0.373730
C -2.605360 1.555400 -2.007547
C -3.709270 1.120406 0.117993
C 5.826621 -0.118842 -1.202736
C 4.708971 -0.946643 -1.418277
C 5.872202 0.683429 -0.048895
C -3.529499 -2.812738 2.187709
C -3.687637 -3.012442 -0.222801
C -3.831640 1.921351 -2.564472
C -4.930295 1.499285 -0.445134
C -4.106831 -3.397463 1.054721
C 6.956101 -0.110684 -2.172301
C -4.993841 1.897730 -1.784241
H 2.533224 -1.227865 2.098660
H 2.787140 0.491873 2.513392
H 0.398162 -1.693402 1.667954
H -0.296946 2.614660 -0.701170
H 2.809563 -1.627052 -0.677305
H 4.885009 1.284078 1.764798
H -2.090728 -1.391477 2.933302
H -2.374272 -1.740069 -1.371260
H -1.706199 1.571064 -2.622785
H -3.667301 0.803138 1.160924
H 4.669053 -1.581613 -2.304585
H 6.740585 1.317971 0.135907
H 1.841315 3.535597 -0.069927
H -3.861949 -3.111810 3.183471
H -4.140242 -3.468234 -1.105578
H -3.885186 2.227951 -3.610814
H -5.837441 1.481589 0.162208
H -4.886107 -4.153879 1.168678
H 7.485623 0.853015 -2.204196
H 7.708096 -0.873367 -1.906262
H 6.637858 -0.329856 -3.202110
H -5.950787 2.189980 -2.222410


%chk=000187718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187718

1 1
S 2.255124 3.001494 0.299708
N 1.204401 0.584058 1.063740
C -1.040277 -0.278118 0.573461
C 2.551208 0.324654 1.702278
C -1.356871 0.959523 -0.102338
C 0.238692 -0.401234 1.132968
C 0.937490 1.759801 0.385293
C -0.332657 1.935900 -0.190884
C 3.655115 0.041572 0.693334
C -1.947797 -1.459459 0.667741
C -2.691168 1.281301 -0.668233
C 3.507233 -0.966004 -0.293076
C 4.878524 0.749719 0.772431
C -2.136398 -2.116757 1.913666
C -2.579108 -1.981812 -0.493712
C -2.791069 1.971190 -1.910480
C -3.882823 0.975521 0.049020
C 5.798294 -0.552731 -1.106315
C 4.563048 -1.251609 -1.181632
C 5.934975 0.452243 -0.113944
C -2.947234 -3.269413 1.998740
C -3.381038 -3.138219 -0.406260
C -4.050767 2.332970 -2.429021
C -5.138014 1.360727 -0.461845
C -3.570033 -3.784236 0.838641
C 6.942947 -0.889302 -2.041870
C -5.228035 2.034525 -1.703202
H 2.395617 -0.530026 2.383743
H 2.800401 1.205859 2.321255
H 0.541206 -1.321528 1.636285
H -0.555216 2.885918 -0.683761
H 2.571763 -1.534024 -0.376293
H 5.011224 1.533951 1.528151
H -1.677206 -1.710217 2.823225
H -2.432938 -1.494724 -1.463445
H -1.887519 2.186854 -2.493223
H -3.826130 0.460201 1.012443
H 4.433731 -2.030947 -1.941399
H 6.875952 1.008517 -0.037381
H 1.414520 4.025045 -0.106030
H -3.096236 -3.759864 2.966090
H -3.855291 -3.537815 -1.308421
H -4.116148 2.842936 -3.395362
H -6.045834 1.136813 0.107194
H -4.197293 -4.679228 0.903226
H 7.588557 -0.014052 -2.227329
H 7.583050 -1.681503 -1.607883
H 6.578837 -1.260719 -3.015005
H -6.206206 2.322751 -2.101690


