%chk=000245006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245006

0 1
O 3.231746 0.964907 1.321821
O -3.320197 -1.842700 1.008049
N 2.372521 1.131254 -0.875483
C 0.351689 -0.464113 -0.708532
C -1.197972 -0.465206 -0.513930
C 1.012044 -1.121831 0.535524
C -1.720831 0.075148 0.852153
C 2.547775 -1.166949 0.325919
C 0.598432 -0.404567 1.829059
C -0.914466 -0.479627 2.039695
C 0.884304 0.975915 -0.907007
C 0.654498 -1.343260 -1.953896
C -1.961123 0.239895 -1.661623
C -1.774495 1.621798 0.889061
C 3.128190 0.240843 0.043482
C -3.187200 1.001298 -1.108999
C -3.213317 -0.404554 0.972785
C 2.846143 -2.078122 -0.895810
C 2.149305 -1.596941 -2.171577
C -2.699210 2.163891 -0.215414
C -3.990753 0.044757 -0.250889
C 3.271145 -1.747662 1.551387
C 2.765390 2.514044 -0.435510
C 3.186969 2.382436 1.044907
C -5.226756 -0.366292 -0.521275
H -1.507241 -1.547703 -0.535679
H 0.652305 -2.178916 0.601454
H 0.951053 0.646548 1.811257
H 1.113609 -0.859092 2.697744
H -1.206477 -1.539858 2.214224
H -1.185955 0.057472 2.968604
H 0.567467 1.347758 -1.908993
H 0.391252 1.636382 -0.148533
H 0.232983 -0.867637 -2.858855
H 0.130809 -2.313564 -1.850832
H -2.292176 -0.511462 -2.401438
H -1.309074 0.943716 -2.209740
H -0.745142 2.023784 0.762065
H -2.112198 1.970694 1.880091
H 4.176020 0.168967 -0.340235
H -3.797593 1.397995 -1.949240
H -3.681666 -0.024778 1.907350
H 2.524520 -3.110457 -0.659495
H 3.936857 -2.137807 -1.067362
H 2.285430 -2.345110 -2.975300
H 2.634676 -0.668872 -2.540074
H -3.567159 2.685228 0.227160
H -2.171841 2.914384 -0.829048
H 2.830849 -2.696141 1.870695
H 4.333284 -1.922381 1.350737
H 3.225229 -1.049045 2.400957
H 1.961314 3.254489 -0.587922
H 3.618045 2.832475 -1.071723
H 4.191804 2.781597 1.249657
H 2.457158 2.795924 1.756451
H -2.605743 -2.218690 1.571235
H -5.754566 -1.073383 0.105818
H -5.789663 -0.055479 -1.386625


%chk=000245006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245006

0 1
O 3.179198 1.163246 1.332878
O -3.433904 -1.981590 0.802782
N 2.415677 1.075228 -0.920066
C 0.371724 -0.440920 -0.684338
C -1.195147 -0.468721 -0.510046
C 1.049272 -1.101310 0.565131
C -1.776951 -0.027938 0.879266
C 2.602158 -1.118034 0.367095
C 0.551000 -0.486755 1.895466
C -0.975371 -0.669832 2.035989
C 0.922987 1.004760 -0.843967
C 0.701472 -1.316860 -1.939640
C -1.997145 0.233761 -1.663070
C -1.891532 1.516598 1.063157
C 3.149789 0.293520 0.068814
C -3.180823 1.059488 -1.076334
C -3.272201 -0.514963 0.913010
C 2.912982 -2.036090 -0.861588
C 2.204730 -1.605540 -2.166441
C -2.587145 2.174975 -0.168901
C -4.042792 0.122126 -0.245859
C 3.343294 -1.690834 1.599609
C 2.941597 2.452191 -0.710582
C 3.144999 2.561672 0.846111
C -5.338677 -0.170314 -0.507538
H -1.450340 -1.549412 -0.556217
H 0.730798 -2.170124 0.571552
H 0.838321 0.577305 1.965880
H 1.049345 -0.987907 2.745363
H -1.177015 -1.764014 2.061433
H -1.324263 -0.255147 3.004844
H 0.544661 1.449185 -1.782784
H 0.547517 1.634908 -0.009937
H 0.276851 -0.843125 -2.846776
H 0.167372 -2.282078 -1.811181
H -2.386484 -0.519378 -2.371067
H -1.357302 0.920821 -2.248537
H -0.904318 1.969174 1.256376
H -2.489470 1.702592 1.979188
H 4.208448 0.215858 -0.261999
H -3.774760 1.504751 -1.896172
H -3.702922 -0.183664 1.886825
H 2.597667 -3.064175 -0.586386
H 4.009117 -2.076109 -1.024245
H 2.312075 -2.406677 -2.924946
H 2.694886 -0.702428 -2.567680
H -3.384359 2.868089 0.156512
H -1.863448 2.767507 -0.762145
H 2.919230 -2.674363 1.878249
H 4.415989 -1.838906 1.370263
H 3.278713 -1.013162 2.465193
H 2.243545 3.203243 -1.114425
H 3.910767 2.556386 -1.231135
H 4.093617 3.070718 1.100577
H 2.307275 3.079562 1.350438
H -3.087596 -2.395454 1.634741
H -5.892692 -0.895455 0.098521
H -5.868412 0.285016 -1.352961


