%chk=000215226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215226

0 1
N -3.072036 -0.372621 -0.333153
N -1.478099 1.431546 0.061710
N 1.510956 -0.684025 -1.113321
C -1.696489 -0.959061 -0.431542
C -0.840982 0.316557 -0.736345
C -2.935906 1.045536 0.176720
C -1.198513 -1.694655 0.829100
C 0.616386 0.187332 -0.457756
C -4.064882 -1.210290 0.385967
C -0.859262 1.649673 1.413296
C -2.261960 -2.629657 1.409806
C 1.317430 0.948903 0.473130
C -3.557541 -1.857598 1.684936
C 0.639943 1.987609 1.285987
C -3.795142 1.994827 -0.691704
C 2.694379 0.547798 0.426650
C 2.794133 -0.484722 -0.574171
C -3.457489 1.976506 -2.178658
C 1.162741 -1.649814 -2.158980
C 3.854313 0.945532 1.118040
C 4.024457 -1.108296 -0.872017
C 5.056379 0.329817 0.818490
C 5.138135 -0.688573 -0.168371
H -1.704869 -1.659674 -1.297931
H -0.988910 0.607219 -1.814847
H -3.290160 1.136147 1.237702
H -0.895445 -0.953512 1.601669
H -0.277380 -2.257341 0.590166
H -4.371854 -2.007335 -0.331295
H -4.973551 -0.602782 0.581893
H -0.977485 0.762093 2.079949
H -1.393736 2.503338 1.881791
H -1.887672 -3.093275 2.341808
H -2.460159 -3.465024 0.711071
H -4.329440 -2.532820 2.096360
H -3.383230 -1.086485 2.457909
H 1.094406 2.076592 2.291034
H 0.764279 2.978000 0.794326
H -3.669814 3.024249 -0.299098
H -4.860180 1.724437 -0.551728
H -2.434928 2.335260 -2.352568
H -3.524945 0.958370 -2.583312
H -4.139299 2.614476 -2.748688
H 0.331634 -1.273650 -2.782008
H 2.024439 -1.829895 -2.826673
H 0.858464 -2.617939 -1.720414
H 3.789544 1.726492 1.871667
H 4.086464 -1.886132 -1.624351
H 5.964892 0.621408 1.340107
H 6.107985 -1.142339 -0.366653


%chk=000215226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215226

0 1
N -3.005337 -0.386104 -0.374470
N -1.424691 1.328644 0.058827
N 1.584788 -0.793890 -1.000119
C -1.669567 -1.042873 -0.383995
C -0.776869 0.200057 -0.701961
C -2.868735 0.975042 0.231217
C -1.326125 -1.790142 0.932850
C 0.692018 0.125811 -0.406364
C -4.117584 -1.235169 0.102233
C -0.779760 1.789807 1.317596
C -2.480705 -2.744052 1.327554
C 1.398220 1.012816 0.402755
C -3.813823 -1.964938 1.440310
C 0.706936 2.148602 1.109389
C -3.824657 1.999301 -0.428616
C 2.792785 0.633114 0.343407
C 2.879630 -0.508679 -0.535358
C -3.570830 2.197129 -1.934460
C 1.242951 -1.865755 -1.934225
C 3.978510 1.135577 0.939940
C 4.107164 -1.149614 -0.811850
C 5.206431 0.502292 0.661815
C 5.269551 -0.628600 -0.204208
H -1.648793 -1.774380 -1.219775
H -0.924478 0.411893 -1.784081
H -3.096319 0.956480 1.330365
H -1.157204 -1.060155 1.747375
H -0.378907 -2.350973 0.811314
H -4.328049 -1.998275 -0.675711
H -5.026492 -0.612160 0.190240
H -0.850003 1.030045 2.136366
H -1.331886 2.685682 1.658363
H -2.247633 -3.256134 2.280378
H -2.587391 -3.537093 0.556524
H -4.647942 -2.650791 1.686277
H -3.742850 -1.228633 2.266558
H 1.167362 2.353130 2.095518
H 0.783280 3.082251 0.516614
H -3.704422 2.962976 0.106325
H -4.871122 1.671565 -0.255276
H -2.539267 2.557031 -2.097239
H -3.694080 1.241325 -2.473044
H -4.271055 2.937194 -2.363435
H 0.373113 -1.573377 -2.545686
H 2.090964 -2.044486 -2.616815
H 1.005601 -2.814928 -1.414689
H 3.941335 2.004664 1.606825
H 4.168906 -2.025330 -1.467256
H 6.129217 0.879731 1.116702
H 6.237812 -1.103426 -0.399302


