%chk=000185834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185834

0 1
O -7.486993 0.536223 0.177588
N -4.788403 -0.367640 0.079856
C -5.923670 -1.316818 -0.165888
C -5.159845 0.995241 -0.422627
C -3.531435 -0.864778 -0.572487
C -7.152899 -0.805497 0.617914
C -6.397177 1.476799 0.365447
C -2.320814 -0.158853 0.062508
C -1.004244 -0.718327 -0.489235
C 0.206572 -0.014362 0.138498
C 1.526692 -0.572477 -0.410050
C 2.736936 0.131777 0.218161
C 4.057425 -0.425807 -0.330170
C -8.409650 -1.610890 0.320974
C -6.953175 2.790099 -0.165835
C 5.267570 0.278575 0.298077
C 6.588146 -0.278793 -0.250280
C 7.798392 0.425330 0.378084
C 9.118692 -0.131824 -0.170530
C 10.330263 0.571771 0.457169
C 11.647315 0.020985 -0.085224
H -5.634587 -2.319972 0.210110
H -6.177354 -1.426501 -1.240888
H -5.370889 1.015883 -1.512390
H -4.307530 1.683120 -0.241060
H -3.451392 -1.959497 -0.392517
H -3.527717 -0.724201 -1.674051
H -6.932595 -0.761746 1.708080
H -6.174947 1.527646 1.454821
H -2.362069 -0.280565 1.163997
H -2.377441 0.932197 -0.115547
H -0.975405 -0.604620 -1.590056
H -0.945627 -1.807070 -0.295835
H 0.178152 -0.128480 1.239610
H 0.150047 1.074664 -0.052296
H 1.583875 -1.661262 -0.217754
H 1.555239 -0.459049 -1.510879
H 2.680066 1.220694 0.026783
H 2.708869 0.017870 1.319079
H 4.114693 -1.514629 -0.138272
H 4.085799 -0.312156 -1.431005
H -9.269131 -1.193766 0.863403
H -8.299327 -2.660087 0.608700
H -8.669286 -1.567349 -0.744775
H -6.226081 3.602913 -0.085562
H -7.854850 3.078253 0.391606
H -7.258225 2.698448 -1.216421
H 5.210493 1.367455 0.106591
H 5.239524 0.164703 1.398941
H 6.616583 -0.164858 -1.351091
H 6.645480 -1.367672 -0.058788
H 7.741096 1.514243 0.186883
H 7.770241 0.311032 1.478882
H 9.177559 -1.220605 0.020110
H 9.148374 -0.018358 -1.271201
H 10.302863 0.457228 1.558489
H 10.273739 1.661145 0.265258
H 12.505678 0.528828 0.368392
H 11.752639 -1.050001 0.121932
H 11.723649 0.153288 -1.170428


%chk=000185834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185834

0 1
O -7.678621 0.489548 0.036667
N -4.905669 -0.351206 0.106387
C -6.001311 -1.316557 -0.164793
C -5.289293 1.001904 -0.368399
C -3.606369 -0.814713 -0.443136
C -7.306018 -0.860727 0.517132
C -6.597455 1.465185 0.303453
C -2.385335 -0.072227 0.137711
C -1.050651 -0.644451 -0.391873
C 0.191908 0.064946 0.191846
C 1.524783 -0.497786 -0.351170
C 2.772834 0.188273 0.248545
C 4.102375 -0.371589 -0.305552
C -8.495984 -1.770740 0.211816
C -7.095111 2.812843 -0.219702
C 5.354299 0.298291 0.304362
C 6.681384 -0.261331 -0.255907
C 7.935699 0.399220 0.359588
C 9.261704 -0.160543 -0.203176
C 10.516760 0.496861 0.415315
C 11.836485 -0.068158 -0.153378
H -5.706587 -2.305295 0.235455
H -6.196610 -1.430561 -1.263002
H -5.431216 1.020545 -1.481050
H -4.486070 1.716540 -0.114657
H -3.508930 -1.890233 -0.194339
H -3.585849 -0.742188 -1.563131
H -7.121362 -0.805330 1.613850
H -6.424510 1.506760 1.402714
H -2.421394 -0.149301 1.241969
H -2.433125 1.007321 -0.109034
H -1.028509 -0.566988 -1.499436
H -0.994840 -1.727944 -0.155235
H 0.178610 -0.025213 1.298116
H 0.134533 1.150895 -0.031968
H 1.572686 -1.587684 -0.144509
H 1.543651 -0.390981 -1.456212
H 2.723596 1.279519 0.049810
H 2.758677 0.073137 1.352740
H 4.144918 -1.465098 -0.117636
H 4.120708 -0.246006 -1.408616
H -9.404461 -1.383624 0.703830
H -8.308914 -2.797235 0.576408
H -8.683986 -1.809062 -0.876007
H -6.353150 3.608409 -0.024279
H -8.041429 3.085689 0.277494
H -7.280762 2.759712 -1.307275
H 5.311544 1.392447 0.120568
H 5.338573 0.168276 1.406927
H 6.699579 -0.125638 -1.357769
H 6.720306 -1.356661 -0.078131
H 7.896904 1.494843 0.183502
H 7.918629 0.261582 1.461259
H 9.300641 -1.256558 -0.029531
H 9.281546 -0.020534 -1.304495
H 10.496171 0.356037 1.515487
H 10.476554 1.591864 0.242062
H 12.717785 0.417150 0.305269
H 11.914222 -1.156083 0.033135
H 11.895359 0.088350 -1.247217


