%chk=000188181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188181

0 1
O 4.204119 -0.375699 -0.131647
O 2.769562 1.385025 -0.624299
O 2.835688 -3.166104 -0.680847
O -0.866184 -1.496898 -0.975152
O -1.701892 2.982337 0.385896
O -5.371176 -1.819147 -0.545662
O -2.406557 -3.043767 -1.211123
N 4.168714 0.242183 2.461590
N 2.312882 -1.296924 2.762599
C 2.079549 -0.908891 -1.151335
C 3.297389 0.058988 -1.111263
C 2.381884 -1.964128 -0.054626
C 0.939090 -0.017701 -0.785988
C 3.607875 -1.412734 0.713097
C 1.422968 1.274060 -0.470224
C -0.428882 -0.269417 -0.689200
C -1.325353 0.784648 -0.285066
C -2.700758 0.449859 -0.216649
C 0.603993 2.334459 -0.065502
C 3.273146 -0.783518 2.065156
C -0.762712 2.065362 0.015899
C -3.822161 1.371217 0.172138
C -3.162838 -0.821339 -0.517911
C -5.092317 0.511059 0.079043
C -4.636303 -0.885964 -0.366421
C -2.321702 -1.897239 -0.910430
C -1.265311 4.332211 0.710349
H 1.947193 -1.402454 -2.139159
H 3.870906 0.317815 -2.011465
H 1.505725 -2.175125 0.599285
H 4.421228 -2.172417 0.810135
H 1.038937 3.301136 0.156875
H 2.095256 -3.807151 -0.765798
H -3.662980 1.785079 1.189354
H -3.859311 2.257627 -0.494170
H -5.824428 0.916778 -0.641818
H -5.627057 0.443323 1.043350
H 3.844805 0.897139 3.157605
H 4.700968 0.693342 1.720624
H 2.098918 -0.931750 3.684333
H -0.596669 4.313254 1.576304
H -2.218560 4.819915 0.954627
H -0.795747 4.796050 -0.162802


%chk=000188181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188181

0 1
O 4.281353 -0.464543 -0.135302
O 2.848039 1.433265 -0.690797
O 2.937797 -3.223540 -0.762118
O -0.803306 -1.514767 -0.958890
O -1.658625 3.091642 0.405352
O -5.313320 -1.980605 -0.466537
O -2.465484 -3.110880 -1.156721
N 3.847633 0.328665 2.415920
N 2.035187 -1.290719 2.653907
C 2.125266 -0.890734 -1.173575
C 3.373508 0.050518 -1.112876
C 2.418861 -2.015223 -0.118486
C 0.989949 0.027115 -0.797700
C 3.547979 -1.432793 0.745310
C 1.471032 1.316201 -0.512176
C -0.379099 -0.224353 -0.670503
C -1.292583 0.812525 -0.262791
C -2.680510 0.448016 -0.167974
C 0.643568 2.382810 -0.105172
C 3.062394 -0.750158 2.036567
C -0.736959 2.117650 0.014810
C -3.850948 1.334077 0.236217
C -3.116962 -0.851460 -0.459566
C -5.097203 0.420261 0.160549
C -4.590421 -0.968057 -0.288402
C -2.236443 -1.930484 -0.871124
C -1.155180 4.441010 0.696023
H 1.999443 -1.352994 -2.165860
H 3.936232 0.241271 -2.036241
H 1.536753 -2.230004 0.507679
H 4.282387 -2.215788 0.992903
H 1.075744 3.363523 0.097876
H 2.174368 -3.770647 -1.074878
H -3.680740 1.750796 1.244562
H -3.914627 2.209212 -0.434111
H -5.849365 0.779482 -0.564155
H -5.613308 0.316738 1.131563
H 3.656436 0.843193 3.272794
H 4.527356 0.697494 1.749225
H 1.797620 -0.834996 3.558394
H -0.436637 4.422440 1.536729
H -2.045250 5.021907 0.976721
H -0.680037 4.887435 -0.197445


