%chk=000290852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290852

0 1
O -2.093970 0.730402 0.923964
O -2.041822 4.422245 -2.026783
O -1.114824 0.966264 -2.066570
O -1.096666 0.251865 2.889874
O 4.264048 -0.476363 1.111099
O 2.848850 1.271438 0.957395
N 0.851709 1.081451 -0.861634
C -2.206005 2.143582 1.299450
C -0.932119 2.868486 0.848700
C -0.762865 2.923144 -0.674947
C -3.477082 2.617836 0.588659
C -3.313461 2.703855 -0.928755
C -2.065180 3.457558 -1.305042
C -0.410701 1.565695 -1.277602
C -1.481913 -0.136226 1.809500
C 1.455769 -0.141198 -1.255495
C -1.415716 -1.494639 1.227760
C 2.624935 -0.584778 -0.577586
C 0.934906 -0.916795 -2.315531
C -1.113951 -2.568586 2.082364
C -1.637896 -1.714672 -0.139858
C 3.236746 -1.790377 -0.981611
C 1.560706 -2.097442 -2.690228
C 2.716327 -2.542111 -2.025382
C 3.203308 0.180855 0.534681
C -1.043291 -3.862659 1.564920
C -1.564194 -3.013899 -0.649088
C -1.269352 -4.084642 0.200828
C 4.902446 0.196374 2.233130
H -2.312095 2.195015 2.409759
H -0.049570 2.389831 1.327512
H -0.948048 3.905447 1.248227
H 0.057758 3.649035 -0.928208
H -3.776090 3.604084 0.998327
H -4.308604 1.919462 0.825128
H -3.240087 1.674513 -1.363527
H -4.204000 3.169796 -1.395964
H 1.372672 1.635713 -0.140608
H 0.034023 -0.581109 -2.843606
H 4.135671 -2.125274 -0.452817
H -0.934596 -2.380862 3.143948
H -1.861445 -0.867815 -0.801789
H 1.152080 -2.687479 -3.513191
H 3.196598 -3.469280 -2.329935
H -0.810783 -4.699090 2.222212
H -1.735741 -3.188355 -1.710375
H -1.213440 -5.097004 -0.199529
H 5.685688 -0.514741 2.515592
H 5.313658 1.154455 1.900055
H 4.171513 0.345593 3.034873


%chk=000290852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290852

0 1
O -2.186607 0.650605 0.872855
O -1.836505 4.513503 -2.004535
O -1.064615 0.981143 -2.177239
O -1.293690 0.025749 2.938884
O 4.510127 -0.190261 1.022388
O 2.838542 1.408320 0.897651
N 0.898561 1.022287 -0.876259
C -2.209195 2.081625 1.317494
C -0.880639 2.756402 0.928263
C -0.678687 2.873216 -0.618353
C -3.423237 2.729029 0.637185
C -3.253023 2.846700 -0.904117
C -1.929382 3.500269 -1.265301
C -0.329159 1.525251 -1.300609
C -1.684699 -0.288666 1.785995
C 1.568572 -0.150328 -1.289098
C -1.701018 -1.669125 1.224558
C 2.800114 -0.509290 -0.629026
C 1.078484 -0.981373 -2.334753
C -1.360893 -2.743566 2.088028
C -2.038654 -1.924576 -0.130615
C 3.494561 -1.681163 -1.036450
C 1.791933 -2.132493 -2.715399
C 3.002041 -2.492032 -2.071717
C 3.345990 0.321964 0.467636
C -1.370331 -4.066892 1.603003
C -2.044570 -3.251328 -0.609787
C -1.714751 -4.323019 0.253628
C 5.096976 0.597535 2.133689
H -2.312138 2.085296 2.418255
H -0.036569 2.225234 1.403902
H -0.889999 3.779570 1.352670
H 0.166854 3.563081 -0.808862
H -3.561741 3.736738 1.076458
H -4.330366 2.143341 0.869348
H -3.245917 1.832434 -1.346268
H -4.076941 3.425804 -1.353333
H 1.413616 1.540732 -0.136791
H 0.145245 -0.703648 -2.826717
H 4.424035 -1.934976 -0.520586
H -1.097123 -2.519212 3.126943
H -2.279043 -1.088068 -0.792805
H 1.398189 -2.756116 -3.525833
H 3.547881 -3.390474 -2.376042
H -1.112060 -4.896135 2.270435
H -2.303012 -3.449598 -1.655584
H -1.722938 -5.352224 -0.122950
H 5.990401 0.031828 2.431648
H 5.361982 1.609487 1.785147
H 4.377304 0.676015 2.965264


