%chk=000228491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228491

0 1
O 5.591362 -0.598907 -0.805986
O -5.541330 0.064141 0.312066
C 0.848563 -0.349762 0.034684
C 0.095759 0.989635 0.291977
C -1.214654 0.947743 -0.507134
C -2.132773 -0.214327 -0.007897
C 2.203659 -0.381844 0.804389
C 3.076213 0.845313 0.386974
C -0.039514 -1.571073 0.365139
C -1.411992 -1.536589 -0.329099
C 0.962954 2.191190 -0.118400
C -3.429886 0.056561 -0.839772
C -2.143833 2.172091 -0.503525
C 2.317307 2.170697 0.597698
C 2.996459 -1.681400 0.497284
C -3.523696 1.604553 -0.910416
C 3.573137 0.752442 -1.067973
C -2.458629 -0.133259 1.490798
C 1.974314 -0.339996 2.329901
C 3.464908 -1.790532 -0.954038
C 4.281005 -0.567523 -1.394249
C -4.670498 -0.576816 -0.233208
C -4.772080 -2.072521 -0.374074
H 1.088852 -0.396653 -1.056768
H -0.134110 1.073574 1.382262
H -0.946659 0.744302 -1.576118
H 3.976213 0.859095 1.050676
H -0.185517 -1.641585 1.460904
H 0.490957 -2.497673 0.071530
H -1.284797 -1.651010 -1.421252
H -2.023869 -2.400884 -0.004349
H 0.431238 3.132898 0.115040
H 1.115435 2.196186 -1.214640
H -3.297990 -0.349380 -1.868714
H -1.801746 2.950512 -1.201854
H -2.187590 2.642610 0.492921
H 2.937648 3.017403 0.247451
H 2.169500 2.340026 1.681975
H 2.379572 -2.564862 0.751667
H 3.875011 -1.738132 1.169393
H -4.317750 1.974637 -0.232636
H -3.807361 1.927954 -1.923600
H 2.723807 0.889999 -1.765367
H 4.269705 1.590461 -1.269884
H -1.549154 -0.027812 2.094842
H -3.095960 0.731025 1.718578
H -2.984288 -1.025851 1.843035
H 2.916981 -0.293649 2.883015
H 1.381401 0.535225 2.621055
H 1.432192 -1.225557 2.678081
H 4.083245 -2.701830 -1.078757
H 2.596267 -1.914820 -1.628476
H 4.532082 -0.625369 -2.480207
H -5.066052 -2.354197 -1.393031
H -3.819974 -2.576979 -0.152541
H -5.536797 -2.481194 0.302195
H 5.536753 -0.553585 0.167434


%chk=000228491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228491

0 1
O 5.655827 -0.629674 -0.887672
O -5.536381 -0.168311 0.427707
C 0.854263 -0.355003 0.173758
C 0.107984 1.010300 0.365945
C -1.249218 0.935099 -0.365091
C -2.173807 -0.221943 0.139625
C 2.284527 -0.357541 0.840197
C 3.117559 0.861149 0.290292
C -0.039972 -1.553376 0.603393
C -1.431399 -1.559481 -0.088708
C 0.963271 2.195154 -0.144726
C -3.429587 0.039379 -0.796667
C -2.176466 2.173762 -0.382483
C 2.373688 2.207754 0.487633
C 3.076895 -1.667242 0.520414
C -3.567261 1.597795 -0.814695
C 3.551403 0.687453 -1.194307
C -2.582999 -0.069863 1.628801
C 2.186513 -0.262407 2.389673
C 3.470621 -1.841678 -0.963308
C 4.292860 -0.637208 -1.472198
C -4.702390 -0.689384 -0.364074
C -4.928562 -2.085028 -0.935863
H 1.005284 -0.457927 -0.925126
H -0.080036 1.172486 1.448164
H -1.015888 0.693088 -1.429346
H 4.047917 0.908672 0.903703
H -0.180847 -1.544850 1.701215
H 0.469221 -2.505895 0.362915
H -1.294193 -1.719243 -1.179729
H -2.019991 -2.416754 0.295792
H 0.447765 3.148800 0.079799
H 1.040658 2.137970 -1.250628
H -3.150373 -0.333534 -1.804220
H -1.818097 2.955122 -1.075598
H -2.234607 2.632844 0.622896
H 2.977382 3.028021 0.050288
H 2.282807 2.427948 1.569442
H 2.507249 -2.550553 0.864796
H 4.001934 -1.663739 1.138009
H -4.371348 1.901152 -0.122125
H -3.855473 1.945336 -1.822996
H 2.669416 0.736996 -1.860930
H 4.212007 1.530123 -1.475875
H -1.703657 0.005132 2.290767
H -3.212343 0.820146 1.796240
H -3.172340 -0.945024 1.958852
H 3.194734 -0.127544 2.826682
H 1.562628 0.579985 2.734388
H 1.765169 -1.189157 2.820727
H 4.067311 -2.763901 -1.091798
H 2.565117 -1.948516 -1.593684
H 4.496087 -0.739662 -2.552732
H -5.210515 -2.000596 -2.004285
H -4.003763 -2.688333 -0.897134
H -5.740728 -2.596320 -0.395617
H 5.578145 -0.477280 0.088504


