%chk=000114400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114400

0 1
N -4.639126 -1.932746 0.102902
C 0.022281 -0.008718 -0.233993
C 0.096846 -0.281081 -1.774873
C 1.560176 -0.663012 -2.133917
C 1.441798 -0.292959 0.253641
C -0.932711 -1.010528 0.456975
C 2.290846 -0.670436 -0.810131
C -0.294372 1.457401 0.039207
C -2.339138 -1.060171 -0.149765
C 1.652817 -2.007687 -2.853742
C 1.926594 -0.210947 1.552497
C 3.626143 -0.973675 -0.574927
C -1.348801 1.869269 0.863339
C 0.530621 2.440427 -0.541497
C -3.247712 -2.007981 0.649445
C 3.276306 -0.519809 1.790217
C 4.114597 -0.897734 0.740033
C -1.588065 3.230301 1.087798
C 0.292815 3.796039 -0.316150
C -0.772211 4.197392 0.498748
C -5.539044 -2.920462 0.761123
H -0.230327 0.599337 -2.350373
H -0.599304 -1.089895 -2.057901
H 1.999258 0.128477 -2.788726
H -0.475313 -2.020550 0.404755
H -0.990304 -0.771370 1.537277
H -2.791090 -0.046312 -0.176028
H -2.282341 -1.382024 -1.208936
H 2.690490 -2.252761 -3.107453
H 1.271090 -2.824598 -2.229257
H 1.076682 -2.002973 -3.785203
H 1.279369 0.094876 2.371093
H 4.284620 -1.264229 -1.388779
H -2.002158 1.138477 1.340127
H 1.372062 2.138543 -1.165119
H -2.828993 -3.037158 0.644582
H -3.288790 -1.687395 1.714469
H 3.668704 -0.459525 2.803308
H 5.158385 -1.133971 0.937574
H -2.416661 3.531791 1.726430
H 0.939037 4.543598 -0.772458
H -4.622031 -2.118836 -0.906138
H -0.959371 5.254198 0.672803
H -5.230925 -3.971698 0.663033
H -6.549688 -2.812661 0.333836
H -5.618960 -2.685422 1.835454


%chk=000114400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114400

0 1
N -4.814768 -1.768563 -0.013358
C 0.059546 -0.285874 -0.178746
C 0.289891 -0.763226 -1.653045
C 1.768357 -0.409562 -1.992329
C 1.465828 -0.551375 0.406459
C -1.044938 -1.122146 0.539607
C 2.436891 -0.590732 -0.629468
C -0.274282 1.229922 -0.067512
C -2.437546 -1.037662 -0.122010
C 2.368220 -1.246809 -3.138297
C 1.851800 -0.742747 1.747934
C 3.797376 -0.793324 -0.328841
C -0.258462 1.854471 1.209808
C -0.624593 2.031652 -1.183751
C -3.504572 -1.821129 0.666365
C 3.219305 -0.955613 2.052602
C 4.188163 -0.973112 1.021808
C -0.584672 3.217459 1.367703
C -0.947998 3.400720 -1.033249
C -0.932421 4.002029 0.243372
C -5.902585 -2.470330 0.691043
H -0.429778 -0.355532 -2.381910
H 0.184880 -1.866972 -1.674378
H 1.824698 0.665044 -2.272046
H -0.710285 -2.179213 0.573383
H -1.131485 -0.784603 1.592645
H -2.762110 0.015908 -0.206710
H -2.381612 -1.441122 -1.155159
H 3.414412 -0.957388 -3.349318
H 2.357763 -2.323654 -2.886123
H 1.790696 -1.107070 -4.070994
H 1.109025 -0.753348 2.554413
H 4.548336 -0.826804 -1.127123
H 0.026260 1.274152 2.094320
H -0.654349 1.597677 -2.187913
H -3.145421 -2.871489 0.834502
H -3.624417 -1.367261 1.671315
H 3.527922 -1.113743 3.092337
H 5.243181 -1.138300 1.268992
H -0.563017 3.668928 2.366313
H -1.214528 3.993830 -1.915830
H -4.737340 -2.061727 -0.996603
H -1.184422 5.061792 0.361826
H -5.695930 -3.549078 0.904966
H -6.832337 -2.409800 0.097657
H -6.094580 -1.973474 1.660644


