%chk=000227954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227954

0 1
O -1.261208 1.942326 -1.010699
O -3.529611 -0.631024 0.118061
O -1.433560 1.756156 1.237190
O -2.223851 -1.724770 1.615874
O -0.750070 -2.789736 -1.448515
N -1.335087 -0.573009 -1.557746
C 0.166387 -0.760285 0.458318
C -1.184716 -0.284948 -0.121389
C 1.369857 -0.054030 -0.170269
C 2.682691 -0.587408 0.419229
C 3.898920 0.117387 -0.196062
C 5.211060 -0.419137 0.391493
C -1.315397 1.231164 0.159572
C -2.329266 -0.991263 0.670462
C 6.430992 0.282995 -0.221335
C -1.090633 -1.837997 -2.123122
C 7.739161 -0.248859 0.359998
C -1.321802 3.407037 -0.927943
C -4.752650 -1.155647 0.737059
C -1.298356 -1.885003 -3.611007
C 0.023541 3.947878 -0.497756
C -5.042412 -0.400873 2.015670
H 0.246062 -1.865864 0.309369
H 0.157888 -0.617961 1.560436
H 1.303160 1.040131 -0.011043
H 1.364209 -0.202282 -1.268438
H 2.685957 -0.454326 1.518695
H 2.754273 -1.680236 0.249180
H 3.896538 -0.018220 -1.294820
H 3.829202 1.208707 -0.024797
H 5.215243 -0.286966 1.490616
H 5.282378 -1.510918 0.221711
H -1.667832 0.202453 -2.135174
H 6.429389 0.148830 -1.320737
H 6.362723 1.374906 -0.049234
H 8.604373 0.256874 -0.082598
H 7.789806 -0.097945 1.444371
H 7.856113 -1.322694 0.174174
H -1.584697 3.657256 -1.971884
H -2.137152 3.683215 -0.235560
H -5.485450 -0.959596 -0.066403
H -4.621976 -2.240528 0.898751
H -2.340920 -1.685294 -3.893084
H -1.052027 -2.892538 -3.987622
H -0.658268 -1.175059 -4.150685
H 0.058195 5.041973 -0.570795
H 0.839328 3.546411 -1.112985
H 0.245087 3.683352 0.548141
H -6.027347 -0.658740 2.421719
H -5.015695 0.685882 1.861043
H -4.295452 -0.630074 2.792372


%chk=000227954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227954

0 1
O -1.337602 2.024704 -0.996330
O -3.497121 -0.727967 0.043018
O -1.337101 1.771046 1.321114
O -2.149623 -1.564390 1.756513
O -1.520255 -2.779841 -1.275206
N -1.234222 -0.497110 -1.544779
C 0.235265 -0.714715 0.494627
C -1.128371 -0.239100 -0.099900
C 1.463955 -0.028136 -0.133253
C 2.787476 -0.588713 0.434529
C 4.040903 0.083434 -0.169126
C 5.365777 -0.472862 0.399280
C -1.287542 1.272503 0.178261
C -2.283469 -0.953728 0.680510
C 6.620834 0.198460 -0.203962
C -1.433331 -1.768952 -2.041581
C 7.939744 -0.361802 0.371176
C -1.455341 3.511667 -0.833139
C -4.697585 -1.356859 0.680724
C -1.555592 -1.877233 -3.556873
C -0.079593 4.144895 -0.614394
C -5.258853 -0.457114 1.784810
H 0.280905 -1.808097 0.343870
H 0.201745 -0.535962 1.583612
H 1.430224 1.066165 0.052474
H 1.449791 -0.165871 -1.233210
H 2.796830 -0.460807 1.536743
H 2.830245 -1.681868 0.248599
H 4.032148 -0.047135 -1.271856
H 3.995580 1.177719 0.014956
H 5.375923 -0.342054 1.501648
H 5.412997 -1.566882 0.216751
H -1.264037 0.322087 -2.155112
H 6.610370 0.066114 -1.305397
H 6.571660 1.291797 -0.022045
H 8.821299 0.133058 -0.076649
H 7.988623 -0.213176 1.466542
H 8.026442 -1.447663 0.177256
H -1.922227 3.836269 -1.776411
H -2.131494 3.708208 0.016817
H -5.400876 -1.477357 -0.158627
H -4.400491 -2.344893 1.072908
H -2.566710 -2.240908 -3.810835
H -0.836037 -2.628443 -3.924298
H -1.377692 -0.922614 -4.081147
H -0.182804 5.245190 -0.577591
H 0.610295 3.891099 -1.437573
H 0.358158 3.809713 0.340362
H -6.182758 -0.905909 2.195204
H -5.506496 0.544053 1.391415
H -4.532872 -0.348319 2.607376


