%chk=000267607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267607

0 1
O -3.873797 0.555467 2.905663
O -6.230582 3.510099 1.531729
O -6.225539 2.883669 -0.617596
O -7.242810 -1.972021 -1.878561
O -5.250865 -1.097914 -1.376943
N 1.352087 -1.712713 -0.101763
N -4.604961 0.698647 0.757699
N 4.770419 -0.925904 -0.023854
N 3.826952 1.730596 -0.507118
N 6.011008 2.373316 -1.216616
N 7.865438 0.725455 -1.223249
N 7.544469 -1.489345 -0.551872
N 8.177950 2.952750 -1.925649
C -5.922206 1.186789 1.180534
C 0.111942 -1.259898 0.358778
C 2.566422 -1.632661 0.744333
C -7.080506 0.245034 0.793626
C 1.470985 -2.590867 -1.296123
C -2.371538 -0.215913 1.207362
C -7.319147 0.066980 -0.707398
C 0.016881 -0.507104 1.560069
C -1.069260 -1.493159 -0.396231
C 3.508561 -0.579743 0.202282
C -3.638682 0.347278 1.723596
C -1.208321 -0.002948 1.970829
C -2.284004 -0.973197 0.026813
C 1.160366 -4.053640 -0.984541
C -6.128004 2.567596 0.545312
C 3.037410 0.774481 -0.051474
C 5.619174 0.052590 -0.494851
C -6.457476 -0.999010 -1.310166
C 5.173935 1.401516 -0.749400
C 7.021566 -0.240369 -0.757744
C 7.322095 1.994773 -1.439085
H -5.914497 1.310288 2.314264
H 2.307053 -1.380062 1.803154
H 3.075082 -2.627107 0.784010
H -6.900852 -0.741424 1.275332
H -8.014320 0.628418 1.259768
H 0.787304 -2.208874 -2.090645
H 2.504963 -2.489908 -1.700970
H -4.494434 0.455902 -0.233260
H -7.129394 1.026702 -1.260120
H -8.393716 -0.164219 -0.893772
H 0.899178 -0.328150 2.170942
H -1.031929 -2.075701 -1.313341
H -1.282812 0.568156 2.902710
H -3.184054 -1.171062 -0.568700
H 1.868033 -4.480724 -0.264844
H 0.156459 -4.173975 -0.555532
H 1.205004 -4.667097 -1.891968
H 1.979932 1.027065 0.132352
H -6.332908 4.436850 1.180212
H -6.714827 -2.694924 -2.314925
H 8.520360 -1.674325 -0.727057
H 6.966784 -2.234693 -0.192396
H 9.150435 2.741139 -2.077750
H 7.849993 3.895492 -2.074954


%chk=000267607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267607

0 1
O -3.543782 1.386937 2.500497
O -6.604176 2.837228 2.520957
O -5.577698 2.912442 0.437259
O -7.214451 -0.545510 -2.895202
O -5.683665 -1.264247 -1.323299
N 1.363356 -1.915988 -0.224579
N -4.778073 0.122551 1.022418
N 4.868988 -0.771788 0.105005
N 3.825934 1.396887 -1.465744
N 6.035531 2.222488 -1.780815
N 7.958108 1.031849 -0.766320
N 7.623926 -0.919715 0.511959
N 8.231503 2.965928 -2.039411
C -6.009116 0.714873 1.537943
C 0.155496 -1.336811 0.194915
C 2.621563 -1.695701 0.500047
C -7.257031 0.153788 0.796897
C 1.417318 -2.894550 -1.331193
C -2.326667 -0.152640 1.060470
C -7.354099 0.472627 -0.719938
C 0.130696 -0.281329 1.164028
C -1.101548 -1.765830 -0.340059
C 3.537795 -0.645991 -0.123358
C -3.566144 0.503471 1.574113
C -1.082087 0.282800 1.584139
C -2.307977 -1.182587 0.082021
C 1.159963 -4.354318 -0.887665
C -5.981928 2.248153 1.416754
C 3.040485 0.447533 -0.912217
C 5.685060 0.182923 -0.443233
C -6.657633 -0.524356 -1.620990
C 5.194266 1.283006 -1.237927
C 7.127390 0.108855 -0.236406
C 7.361252 2.043778 -1.514435
H -6.113078 0.497446 2.616899
H 2.405692 -1.427016 1.550852
H 3.192238 -2.642983 0.546168
H -7.287782 -0.940004 0.958194
H -8.147154 0.577097 1.294906
H 0.695787 -2.596798 -2.113296
H 2.419406 -2.821041 -1.794433
H -4.854435 -0.523835 0.227637
H -6.910432 1.468071 -0.930807
H -8.407783 0.531223 -1.042009
H 1.062917 0.121117 1.572188
H -1.143030 -2.571298 -1.078448
H -1.095948 1.089683 2.324513
H -3.236293 -1.560062 -0.362435
H 1.909146 -4.679350 -0.142816
H 0.160833 -4.464055 -0.431838
H 1.224830 -5.037681 -1.754550
H 1.964555 0.537212 -1.095948
H -6.573791 3.827235 2.424249
H -6.702939 -1.171898 -3.476919
H 8.625339 -0.991008 0.675635
H 6.962513 -1.592923 0.899310
H 9.227264 2.869835 -1.860759
H 7.856390 3.732676 -2.592023


