%chk=000218964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218964

0 1
O 0.488982 0.870675 2.639171
O 1.807756 -0.054010 0.419847
N -2.135942 0.308440 0.218568
C -2.285899 -0.092701 -1.224609
C -3.407488 0.945286 0.709264
C -3.827426 -0.156233 -1.457895
C -4.497524 0.222650 -0.131220
C -0.871193 0.962718 0.625805
C -1.644289 0.894634 -2.218394
C -1.647689 -1.482907 -1.392179
C -3.469388 2.466844 0.463215
C -3.565556 0.656250 2.208639
C -0.183430 0.054348 1.674512
C 0.815661 -0.927864 1.040043
C 2.895318 -0.636780 -0.192263
C 3.121327 -2.013447 -0.302965
C 3.791072 0.313871 -0.725572
C 4.278204 -2.441708 -0.965607
C 4.930549 -0.144240 -1.378308
C 5.178960 -1.520173 -1.501393
H -4.141184 -1.159772 -1.787127
H -4.135061 0.533152 -2.261496
H -5.382253 0.858237 -0.283882
H -4.851700 -0.681509 0.394536
H -0.184210 1.136039 -0.232810
H -1.040483 1.961867 1.090128
H -0.558345 0.961515 -2.074542
H -1.812132 0.581486 -3.253079
H -2.053309 1.903763 -2.103519
H -0.584741 -1.471420 -1.107648
H -2.143039 -2.217799 -0.746416
H -1.715063 -1.833879 -2.424963
H -4.409200 2.890198 0.828780
H -2.656275 2.990500 0.979279
H -3.390824 2.701521 -0.603157
H -4.541688 0.985503 2.575600
H -3.469487 -0.415790 2.417905
H -2.797411 1.167033 2.801719
H -0.931943 -0.499098 2.291542
H 0.338229 -1.540572 0.246960
H 1.314853 -1.556495 1.794594
H 1.294326 1.275132 2.244462
H 2.431963 -2.741273 0.108686
H 3.578468 1.373543 -0.617715
H 4.472471 -3.510191 -1.061030
H 5.637410 0.571991 -1.797646
H 6.073523 -1.864437 -2.013318


%chk=000218964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218964

0 1
O 0.842801 1.792449 2.362501
O 1.764204 0.121540 0.330255
N -1.976860 0.546323 0.123265
C -2.052034 0.308581 -1.370321
C -3.348697 0.576426 0.734369
C -3.524196 -0.189497 -1.575685
C -4.075894 -0.463223 -0.158568
C -0.923938 1.418321 0.665708
C -1.800308 1.582217 -2.232934
C -1.029874 -0.780420 -1.786476
C -4.047825 1.970016 0.641453
C -3.331855 0.126886 2.213759
C -0.041708 0.770370 1.775426
C 0.782943 -0.426328 1.294296
C 2.733522 -0.748252 -0.199829
C 2.784408 -2.137961 0.070760
C 3.689812 -0.148339 -1.056447
C 3.803513 -2.919214 -0.522647
C 4.697697 -0.941214 -1.639803
C 4.762481 -2.331977 -1.376561
H -3.556812 -1.084354 -2.221438
H -4.122354 0.595547 -2.074297
H -5.174696 -0.365558 -0.100524
H -3.800740 -1.479972 0.178295
H -0.243759 1.730410 -0.147761
H -1.331039 2.352504 1.108407
H -0.744161 1.908063 -2.196647
H -2.037934 1.368091 -3.291747
H -2.434459 2.423883 -1.901134
H 0.002230 -0.468531 -1.543927
H -1.241862 -1.728343 -1.259323
H -1.078268 -0.968203 -2.876106
H -5.036345 1.939836 1.136645
H -3.449570 2.751514 1.145746
H -4.200117 2.279153 -0.407364
H -4.366772 -0.023129 2.573990
H -2.783049 -0.826020 2.320247
H -2.862704 0.884096 2.868989
H -0.676940 0.436071 2.611239
H 0.129654 -1.169690 0.800788
H 1.325142 -0.886322 2.143141
H 1.590486 1.926605 1.722544
H 2.048605 -2.613353 0.725570
H 3.626718 0.927403 -1.249097
H 3.842186 -3.994098 -0.312519
H 5.435366 -0.472666 -2.300811
H 5.547900 -2.944742 -1.830923


