%chk=000221985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221985

0 1
O -1.025610 -1.035443 -0.340925
O -0.998924 1.242345 0.106791
O -3.931510 -1.234333 1.258415
O -3.906453 0.886874 1.675390
N -3.695974 -0.077986 0.966478
C -3.160086 0.196633 -0.462934
C -0.258523 0.171412 -0.507788
C -2.322724 -1.010134 -0.945578
C -2.293532 1.477059 -0.456818
C 0.978467 -0.013734 0.360498
C 2.273716 0.129140 -0.441703
C 3.502755 -0.062091 0.457711
C -4.398608 0.383035 -1.337502
C 4.805993 0.079967 -0.339417
C 6.036120 -0.111421 0.559102
C 7.337240 0.028879 -0.227694
H -0.104505 0.380556 -1.581023
H -2.755538 -1.979917 -0.613195
H -2.216549 -0.999845 -2.044511
H -2.182674 1.880872 -1.478419
H -2.705815 2.258528 0.219643
H 0.925187 -1.010374 0.854775
H 0.945239 0.722326 1.195697
H 2.294109 -0.612567 -1.264535
H 2.314226 1.126647 -0.922265
H 3.464071 -1.057231 0.942462
H 3.483947 0.675547 1.283739
H -4.129852 0.585018 -2.382614
H -5.040566 -0.510867 -1.339774
H -5.019954 1.225871 -0.998807
H 4.847745 1.074699 -0.823347
H 4.827691 -0.657356 -1.164827
H 6.017667 0.626498 1.385091
H 5.997769 -1.107127 1.043064
H 8.208989 -0.109771 0.421774
H 7.426296 1.019301 -0.688266
H 7.405971 -0.713509 -1.030893


%chk=000221985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221985

0 1
O -1.388119 -1.368716 0.112224
O -0.643238 0.885826 -0.283875
O -3.972478 -0.154124 1.734718
O -3.285709 1.978912 1.351603
N -3.450618 0.756596 0.997241
C -3.081256 0.373302 -0.481829
C -0.335211 -0.535597 -0.477793
C -2.681533 -1.119357 -0.532935
C -1.897246 1.250700 -0.949779
C 0.972475 -0.846125 0.233811
C 2.183755 -0.110050 -0.380036
C 3.499652 -0.417988 0.368447
C -4.355371 0.651219 -1.308751
C 4.724909 0.303180 -0.236581
C 6.041833 0.004974 0.516034
C 7.262361 0.726221 -0.095636
H -0.295699 -0.738221 -1.578503
H -3.411409 -1.742378 0.003078
H -2.641715 -1.417359 -1.604449
H -1.802149 1.123168 -2.051273
H -2.071022 2.308778 -0.707551
H 1.124613 -1.941334 0.196130
H 0.849539 -0.566842 1.296726
H 2.294980 -0.398944 -1.446767
H 1.990012 0.979345 -0.364413
H 3.680544 -1.513566 0.364672
H 3.390999 -0.124372 1.433244
H -4.176216 0.402416 -2.369424
H -5.199798 0.039669 -0.946291
H -4.639171 1.716053 -1.244819
H 4.543513 1.398307 -0.235897
H 4.838062 0.007552 -1.300976
H 5.928936 0.302908 1.578451
H 6.220113 -1.089931 0.518110
H 8.189937 0.497626 0.460923
H 7.121601 1.823629 -0.081615
H 7.415926 0.422023 -1.148423


