%chk=000115463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115463

0 1
N 2.177781 0.314068 0.107910
N 4.916810 0.393067 -0.873148
N -1.361567 -0.538405 1.070485
N 6.784412 0.326360 0.626850
N 6.302018 -1.562618 -0.859426
C 3.241732 1.038712 0.878733
C 2.762300 -0.861510 -0.618492
C 4.335782 1.525146 -0.093598
C 3.854317 -0.370698 -1.590461
C 1.057685 -0.110525 1.008341
C -0.237901 -0.138866 0.169216
C -2.703550 -0.390313 0.411374
C -3.768579 -1.059518 1.318595
C 5.998364 -0.311455 -0.329211
C -3.025751 1.083995 0.228642
C -5.032386 -1.343256 0.555371
C -2.724030 2.019023 1.229533
C -3.655981 1.509260 -0.950130
C -6.020781 -0.354600 0.430383
C -5.231289 -2.599399 -0.038032
C -3.046593 3.366397 1.050274
C -3.979409 2.857987 -1.124105
C -3.675321 3.788539 -0.125831
C 7.925142 -0.296153 1.001618
C 7.454073 -2.141782 -0.450696
C -7.195695 -0.623303 -0.275710
C -6.408914 -2.863013 -0.743085
C 8.313123 -1.541420 0.482812
C -7.393416 -1.877437 -0.862882
H 2.772135 1.920882 1.366860
H 3.697913 0.423054 1.683591
H 3.182865 -1.633241 0.062278
H 1.948696 -1.348583 -1.198220
H 3.905166 2.238899 -0.834015
H 5.133472 2.069163 0.461493
H 4.295587 -1.229739 -2.144938
H 3.416518 0.320086 -2.348079
H 0.929392 0.628010 1.831615
H 1.234476 -1.089948 1.499333
H -0.123381 -0.803618 -0.712349
H -0.435220 0.882821 -0.232074
H -2.721148 -0.898672 -0.591526
H -1.232077 -1.510670 1.372594
H -3.974681 -0.405779 2.192788
H -3.367180 -1.994500 1.758961
H -2.224209 1.686604 2.140958
H -3.903185 0.790569 -1.729723
H -5.865292 0.627303 0.877247
H -4.471087 -3.371833 0.050541
H -2.806639 4.089039 1.827840
H -4.468719 3.183120 -2.040234
H -3.925664 4.837934 -0.263841
H 8.534431 0.229505 1.748404
H 7.678808 -3.122618 -0.889529
H -7.959319 0.147261 -0.368967
H -6.559519 -3.839745 -1.199515
H 9.233001 -2.020491 0.793370
H -8.309816 -2.084998 -1.410494


%chk=000115463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115463

0 1
N 2.209083 0.165965 0.486586
N 4.962872 0.090283 -0.318578
N -1.482094 -0.495016 1.090267
N 7.147106 0.355003 0.543100
N 6.621319 -1.406829 -1.087028
C 3.265938 0.747848 1.353125
C 2.743646 -0.994663 -0.270901
C 4.465069 1.210772 0.501870
C 3.936260 -0.566747 -1.148854
C 0.959726 -0.137866 1.222654
C -0.279242 -0.145812 0.304267
C -2.772479 -0.423345 0.363552
C -3.872803 -1.055148 1.283629
C 6.274159 -0.330813 -0.285973
C -3.112737 1.025942 0.002810
C -5.209538 -1.257414 0.589105
C -2.894922 2.063899 0.944340
C -3.688095 1.347539 -1.249290
C -6.215427 -0.258214 0.631911
C -5.470397 -2.447832 -0.138700
C -3.248731 3.396053 0.639813
C -4.045499 2.680718 -1.557868
C -3.827758 3.709863 -0.613585
C 8.435262 -0.073848 0.548689
C 7.921544 -1.795227 -1.044171
C -7.448073 -0.441810 -0.034041
C -6.700843 -2.636011 -0.807929
C 8.893750 -1.158667 -0.236292
C -7.695566 -1.631649 -0.757236
H 2.845484 1.620134 1.886297
H 3.627364 0.015015 2.119609
H 3.074644 -1.812686 0.420323
H 1.950424 -1.401943 -0.922482
H 4.133389 2.029374 -0.168300
H 5.291231 1.570352 1.133272
H 4.397827 -1.432274 -1.647277
H 3.578706 0.149258 -1.916133
H 0.804207 0.642405 1.989790
H 1.029425 -1.116099 1.769871
H -0.119582 -0.835804 -0.560503
H -0.411785 0.866164 -0.115870
H -2.751453 -1.017124 -0.585116
H -1.372814 -1.401257 1.566957
H -3.979607 -0.406638 2.172226
H -3.490152 -2.035760 1.635601
H -2.425294 1.809258 1.901587
H -3.862569 0.551475 -1.983676
H -6.025925 0.669399 1.184827
H -4.707121 -3.236289 -0.172755
H -3.071104 4.190704 1.374013
H -4.490751 2.914597 -2.531671
H -4.100785 4.744244 -0.852190
H 9.116122 0.477154 1.208558
H 8.183506 -2.647503 -1.682642
H -8.213445 0.341323 0.011360
H -6.886643 -3.563874 -1.361211
H 9.935301 -1.486025 -0.218453
H -8.652428 -1.776453 -1.271585


