%chk=000199302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199302

0 1
P -0.604500 1.654227 -0.400059
P 1.483912 -0.326148 0.049413
P -1.258193 -0.971369 0.690128
N -0.644181 2.333731 -2.019982
N -1.208140 2.968479 0.601573
N 1.816778 -0.803566 -1.618352
N 3.020528 -0.467208 0.896917
N 0.981091 1.280874 0.067608
N -2.264159 -2.356688 0.274662
N -1.642317 0.318584 -0.325116
N 0.371321 -1.420480 0.687738
N -1.682851 -0.591102 2.358941
C -1.798619 1.991984 -2.908176
C -0.432166 1.388884 -3.160608
C -0.984118 2.861441 2.076969
C -0.218567 3.879098 1.256103
C 3.129702 -0.484161 -2.255673
C 2.764020 -1.917071 -1.925449
C 2.997101 -0.878097 2.336352
C 3.342078 0.543919 1.953612
C -1.719749 -3.360900 -0.692611
C -2.842731 -2.434903 -1.103950
C -3.103236 -0.167163 2.501968
H -2.157985 2.825218 -3.521593
H -2.629369 1.364127 -2.562249
H -0.250219 0.317439 -3.012216
H 0.207134 1.782868 -3.958483
H -1.838862 3.173993 2.686855
H -0.475123 2.005159 2.534332
H 0.861601 3.768370 1.098748
H -0.513080 4.934023 1.267261
H 3.061284 -0.118158 -3.285526
H 3.930411 0.025404 -1.709539
H 3.295848 -2.458174 -1.136200
H 2.430096 -2.598208 -2.714970
H 2.059626 -1.118940 2.851942
H 3.787589 -1.581828 2.620190
H 4.384919 0.880115 1.957005
H 2.664192 1.375886 2.179961
H -1.930449 -4.403715 -0.430833
H -0.715217 -3.263363 -1.121067
H -2.681853 -1.638989 -1.841113
H -3.874486 -2.800724 -1.142983
H -1.466226 -1.350223 3.033951
H -3.337616 0.663479 1.805212
H -3.846614 -0.966184 2.336855
H -3.252307 0.226256 3.522353


%chk=000199302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199302

0 1
P -0.590027 1.529882 -0.326754
P 1.524371 -0.447623 0.149190
P -1.221179 -1.180480 0.650246
N -0.659200 2.291178 -1.932903
N -1.192362 2.899144 0.630734
N 2.019651 -0.984239 -1.480791
N 3.009693 -0.561333 1.137831
N 1.047517 1.196185 0.084587
N -2.087612 -2.573198 -0.069455
N -1.688816 0.214651 -0.242707
N 0.434587 -1.605079 0.771629
N -1.794689 -1.077423 2.279903
C -1.838329 1.959509 -2.829551
C -0.463620 1.390275 -3.134619
C -0.787256 2.991910 2.084963
C -0.202311 3.958365 1.067865
C 3.455491 -0.852169 -1.944918
C 2.878098 -2.221868 -1.626877
C 2.925333 -0.153515 2.590405
C 3.661539 0.731865 1.602613
C -2.051912 -2.725530 -1.575000
C -3.335912 -2.290181 -0.893828
C -3.186534 -0.717608 2.597649
H -2.217368 2.816270 -3.394616
H -2.589251 1.269425 -2.426717
H -0.289507 0.322081 -2.954586
H 0.149540 1.837439 -3.922701
H -1.591714 3.317274 2.751196
H -0.117759 2.219924 2.484310
H 0.847278 3.813933 0.785959
H -0.585945 4.980257 0.993386
H 3.562382 -0.525470 -2.983561
H 4.192860 -0.450527 -1.240591
H 3.223410 -2.710315 -0.708460
H 2.565369 -2.889603 -2.435398
H 1.955835 0.199404 2.963740
H 3.482779 -0.804408 3.270511
H 4.755266 0.718261 1.563970
H 3.168155 1.663365 1.299874
H -1.931009 -3.759150 -1.912414
H -1.510001 -1.967288 -2.153742
H -3.625971 -1.239688 -1.015908
H -4.144930 -3.009722 -0.734010
H -1.297438 -1.685904 2.935633
H -3.518408 0.061968 1.889475
H -3.889954 -1.574197 2.539494
H -3.233839 -0.289852 3.614846


