%chk=000216628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216628

0 1
O 3.333171 -2.953894 -0.336204
N -2.006039 -1.332598 0.311519
N 1.671796 -1.679333 0.565457
N 6.428400 2.661751 0.417207
C -3.148171 -0.374458 0.153656
C -5.123910 0.577334 1.417121
C -3.786561 2.054748 -0.125547
C -5.268716 0.250240 -1.078918
C -3.950740 -0.421548 1.484326
C -2.607193 1.061199 -0.066655
C -4.097155 -0.751909 -1.021018
C -4.575488 2.004017 1.200198
C -6.058178 0.199472 0.247184
C -4.719917 1.677184 -1.296589
C -1.068859 -1.406604 -0.850740
C -0.195377 -2.667711 -0.783844
C 0.663303 -2.760362 0.489094
C 2.963816 -1.862294 0.072385
C 3.847186 -0.658936 0.142783
C 3.442811 0.578152 -0.379557
C 5.120555 -0.798210 0.708651
C 4.287553 1.687658 -0.333275
C 5.980682 0.295158 0.771293
C 5.574962 1.545291 0.258617
C 3.836491 2.998582 -0.891690
H -5.692635 0.539974 2.373085
H -3.391915 3.083338 -0.282580
H -5.942596 -0.020439 -1.922260
H -4.328754 -1.439340 1.677931
H -3.282614 -0.176896 2.330349
H -2.019512 1.120637 -0.997689
H -1.916453 1.326904 0.753771
H -4.481506 -1.777011 -0.891558
H -3.545877 -0.746703 -1.976790
H -3.924900 2.294996 2.043206
H -5.403142 2.733591 1.181574
H -6.917767 0.890427 0.206470
H -6.479482 -0.808247 0.403991
H -4.175553 1.736081 -2.254477
H -5.551951 2.398621 -1.369302
H -2.364739 -2.270066 0.524754
H -0.426034 -0.499043 -0.815405
H -1.595783 -1.381408 -1.831520
H 0.467046 -2.694912 -1.674348
H -0.823472 -3.576754 -0.856488
H 1.189543 -3.745819 0.508319
H 0.021590 -2.700479 1.397055
H 1.337287 -0.772856 0.873525
H 2.458919 0.672348 -0.840776
H 5.438232 -1.770497 1.093003
H 6.963159 0.182072 1.223309
H 2.807317 2.956989 -1.273430
H 4.468910 3.322782 -1.729219
H 3.854682 3.786388 -0.123423
H 6.300962 3.425717 -0.230010
H 7.405214 2.456174 0.573080


%chk=000216628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216628

0 1
O 3.352199 -3.045541 0.157628
N -1.862774 -1.777022 0.168569
N 1.248831 -2.126261 0.533168
N 5.013277 3.211472 0.074186
C -2.657893 -0.520308 0.030052
C -4.167920 1.053245 1.365864
C -2.515817 2.010472 -0.298588
C -4.560110 0.754236 -1.120766
C -3.360351 -0.270833 1.394521
C -1.713287 0.681646 -0.258563
C -3.753537 -0.573910 -1.084597
C -3.205851 2.236784 1.073572
C -5.248236 0.979644 0.252618
C -3.592465 1.933268 -1.415016
C -1.212588 -2.351940 -1.035191
C -0.383937 -3.607852 -0.675406
C 0.546030 -3.412907 0.553158
C 2.612223 -2.014359 0.304265
C 3.180462 -0.624395 0.248100
C 2.401958 0.552964 0.090071
C 4.589757 -0.485058 0.329914
C 2.977780 1.838482 0.026781
C 5.192668 0.780117 0.276882
C 4.402851 1.957287 0.128785
C 2.120504 3.077637 -0.157293
H -4.655412 1.203843 2.349211
H -1.821874 2.849219 -0.509523
H -5.328016 0.695689 -1.917633
H -4.039549 -1.121347 1.618569
H -2.592653 -0.243705 2.192647
H -1.188913 0.534601 -1.224298
H -0.945699 0.723382 0.540835
H -4.433225 -1.429307 -0.888389
H -3.280882 -0.749387 -2.071462
H -2.443336 2.314621 1.874427
H -3.770128 3.190765 1.062487
H -5.838642 1.917509 0.233368
H -5.955100 0.151918 0.463574
H -3.107850 1.789531 -2.401872
H -4.157778 2.885439 -1.463259
H -2.421448 -2.494813 0.656520
H -0.531279 -1.590498 -1.458241
H -1.930796 -2.622650 -1.844966
H 0.220406 -3.885045 -1.559817
H -1.058613 -4.463754 -0.465228
H 1.314214 -4.204705 0.578931
H -0.049232 -3.472926 1.483128
H 0.666815 -1.307547 0.721971
H 1.312316 0.486854 -0.019934
H 5.188558 -1.396278 0.429113
H 6.283959 0.870774 0.346939
H 1.051227 2.812736 -0.221370
H 2.378518 3.625885 -1.086658
H 2.231205 3.787861 0.687818
H 4.468104 4.060466 -0.034726
H 6.023926 3.293502 0.134724


