%chk=000229964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229964

0 1
O -3.814017 2.810143 -0.128213
O -1.669793 2.585101 -0.190823
O -5.998422 -2.926297 0.368274
O -6.779530 -0.911031 0.249340
N 0.495225 -0.629339 -0.037353
N -0.557935 0.259506 -0.063050
N -2.813749 2.120277 -0.115073
N -5.864210 -1.717036 0.274879
C 4.087628 -0.421091 -0.185417
C 3.760662 1.013661 -0.277678
C 2.862443 -1.157764 -0.086366
C 2.334016 1.158535 -0.235276
C 1.721237 -0.195299 -0.114139
C 5.303466 -1.080495 -0.182467
C 4.582331 2.121214 -0.388703
C 2.865926 -2.536946 0.013987
C 1.757322 2.414948 -0.305184
C 5.302337 -2.487567 -0.079926
C 3.983545 3.395595 -0.459117
C 4.110625 -3.200653 0.016208
C 2.599444 3.539699 -0.418207
C -1.845690 -0.229621 0.019548
C -2.958235 0.678485 -0.005365
C -2.115831 -1.634631 0.131135
C -4.275232 0.171890 0.079633
C -4.495011 -1.192616 0.186515
C -3.398653 -2.105440 0.212283
H 6.242002 -0.535699 -0.256971
H 5.665078 2.019618 -0.421547
H 1.935077 -3.098410 0.089390
H 0.671932 2.560078 -0.275462
H 6.254754 -3.018589 -0.076552
H 4.619640 4.277348 -0.546843
H 4.131216 -4.287622 0.094651
H 2.150986 4.532600 -0.473755
H -0.395309 1.302326 -0.144714
H -1.265938 -2.326962 0.150056
H -5.127900 0.876052 0.059926
H -3.612238 -3.179868 0.297778


%chk=000229964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229964

0 1
O -3.899658 2.849746 -0.144207
O -1.636359 2.611959 -0.208678
O -6.029240 -3.028776 0.392884
O -6.860834 -0.903384 0.264362
N 0.493451 -0.648386 -0.043662
N -0.559396 0.239222 -0.069398
N -2.849512 2.107640 -0.125142
N -5.882756 -1.747272 0.289396
C 4.091005 -0.418083 -0.185676
C 3.766507 1.021014 -0.276086
C 2.865406 -1.143360 -0.092814
C 2.337008 1.183310 -0.239118
C 1.735643 -0.181182 -0.121682
C 5.322570 -1.098593 -0.179220
C 4.617195 2.134278 -0.382649
C 2.854703 -2.546612 0.006790
C 1.778269 2.480283 -0.311804
C 5.315229 -2.513064 -0.078718
C 4.046356 3.429580 -0.454418
C 4.095150 -3.230131 0.013188
C 2.642701 3.598395 -0.419454
C -1.854517 -0.233140 0.015610
C -2.992448 0.656943 -0.008263
C -2.111186 -1.638095 0.132365
C -4.310476 0.156981 0.081605
C -4.506771 -1.223129 0.194899
C -3.410109 -2.130365 0.220783
H 6.271826 -0.556535 -0.249718
H 5.704719 2.008306 -0.409946
H 1.908252 -3.090833 0.077200
H 0.703838 2.680382 -0.290203
H 6.264012 -3.060704 -0.072003
H 4.695706 4.307716 -0.537635
H 4.114654 -4.322470 0.089636
H 2.213083 4.603745 -0.476014
H -0.468263 1.268564 -0.149186
H -1.247449 -2.304590 0.149728
H -5.158694 0.845867 0.062412
H -3.610416 -3.201125 0.310236


