%chk=000202864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202864

0 1
O 2.137571 -1.392242 -0.606267
O 2.370572 2.470202 0.585354
N -2.458921 1.801841 0.453829
N 1.071905 0.611810 0.790869
C -2.647770 3.246127 0.818521
C -3.529839 1.501685 -0.554400
C -3.372469 3.950535 -0.348949
C -3.982028 2.826135 -1.205383
C -1.087047 1.518851 -0.075278
C -0.137213 1.391658 1.137214
C -1.928379 -2.577145 -0.609121
C -2.846500 -2.012502 0.482761
C -0.462122 -2.599843 -0.159023
C -4.322410 -2.090048 0.067979
C 0.479495 -2.881880 -1.336668
C -5.210521 -1.248765 0.995241
C 1.949646 -2.807481 -0.935995
C 2.271562 1.251252 0.491362
C 3.449727 0.393878 0.157464
C 3.402784 -0.920741 -0.356114
C -6.691062 -1.401385 0.657712
C 4.714672 0.966335 0.373011
C 4.571472 -1.655461 -0.611200
C 5.885822 0.250355 0.118737
C 5.809488 -1.058495 -0.368016
H -1.692815 3.741110 1.072109
H -3.274396 3.259639 1.735676
H -4.367569 1.027733 0.019183
H -3.204584 0.759730 -1.305039
H -4.145314 4.642121 0.021809
H -2.667817 4.558739 -0.940508
H -3.635876 2.894260 -2.249669
H -5.081209 2.895967 -1.236302
H -1.109560 0.562659 -0.642512
H -0.709260 2.289325 -0.779466
H -0.654843 0.881912 1.982220
H 0.165151 2.402586 1.500218
H -2.034595 -1.969163 -1.528994
H -2.251520 -3.599286 -0.885395
H -2.695796 -2.560204 1.432182
H -2.568377 -0.959453 0.701148
H -0.186799 -1.624966 0.301701
H -0.321966 -3.355559 0.636994
H 0.926086 -0.385295 0.588770
H -4.659629 -3.144034 0.074365
H -4.445706 -1.742898 -0.975729
H 0.269213 -3.879967 -1.769415
H 0.288679 -2.147893 -2.149181
H -4.914838 -0.174401 0.916809
H -5.033509 -1.531280 2.050729
H 2.192424 -3.393129 -0.033753
H 2.622380 -3.076075 -1.768235
H -7.026263 -2.438568 0.772142
H -7.312000 -0.782943 1.315768
H -6.904758 -1.100416 -0.373819
H 4.763110 1.996681 0.747635
H 4.525387 -2.667036 -0.999636
H 6.854099 0.711947 0.298293
H 6.724333 -1.619820 -0.563335


%chk=000202864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202864

0 1
O 1.655259 -1.378272 -0.641235
O 1.916886 2.550321 0.993396
N -2.220648 3.464442 -0.334199
N 0.503016 0.874368 0.228969
C -1.823154 4.682078 0.440807
C -2.964142 4.022420 -1.499108
C -1.576490 5.836913 -0.603783
C -2.178010 5.297649 -1.941601
C -1.064327 2.603224 -0.699201
C -0.707727 1.665726 0.482357
C -2.229306 -3.439447 -0.321484
C -3.075788 -3.453386 0.971227
C -0.738396 -3.123262 -0.067797
C -4.568230 -3.766131 0.720247
C 0.092377 -3.085682 -1.370174
C -5.416488 -3.771645 2.012606
C 1.573664 -2.760554 -1.160877
C 1.756184 1.381264 0.502983
C 2.950236 0.492618 0.212801
C 2.917908 -0.830285 -0.329702
C -6.906658 -4.081889 1.753357
C 4.217102 1.048750 0.521528
C 4.118548 -1.551112 -0.544159
C 5.416270 0.340203 0.311692
C 5.362004 -0.965563 -0.223811
H -0.931209 4.472524 1.054928
H -2.650838 4.957700 1.120824
H -3.980139 4.308914 -1.161749
H -3.072140 3.265567 -2.294941
H -2.079036 6.766073 -0.280805
H -0.501354 6.062127 -0.709325
H -1.372648 5.020641 -2.646329
H -2.825988 6.036880 -2.445004
H -1.347305 1.990987 -1.576545
H -0.151303 3.180877 -0.973316
H -1.557311 0.987968 0.678747
H -0.536776 2.276493 1.385884
H -2.648986 -2.689039 -1.024022
H -2.317433 -4.423183 -0.828894
H -2.657684 -4.202032 1.676347
H -2.988223 -2.468887 1.476553
H -0.652063 -2.151320 0.456790
H -0.311240 -3.883597 0.618777
H 0.450415 -0.065670 -0.179727
H -4.658846 -4.752853 0.219201
H -4.986390 -3.019255 0.013139
H 0.036101 -4.072878 -1.872872
H -0.340193 -2.348252 -2.074996
H -5.323858 -2.785769 2.512089
H -4.999039 -4.518108 2.719041
H 2.034932 -3.450493 -0.424940
H 2.134439 -2.818673 -2.115203
H -7.028103 -5.073919 1.278393
H -7.490230 -4.082928 2.692295
H -7.355803 -3.330029 1.077131
H 4.211399 2.062906 0.935215
H 4.095630 -2.562701 -0.958008
H 6.378488 0.797984 0.561880
H 6.282944 -1.534110 -0.394994


