%chk=000271557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271557

0 1
O 3.475772 0.133737 -0.135725
O -3.202705 3.312433 -0.375149
O -4.291803 1.381108 -0.098162
N -1.615658 -1.985764 -0.119821
C -0.195981 -0.201735 0.122593
C -0.258409 -1.609746 -0.163644
C -1.544740 0.241766 0.337060
C -2.385896 -0.864635 0.182584
C 1.056042 0.450653 0.146932
C -1.959150 1.621085 0.687708
C 0.902959 -2.371203 -0.424301
C 2.175757 -0.320394 -0.113692
C -2.128685 -3.334393 -0.374263
C 2.116715 -1.724519 -0.398532
C -3.265748 2.001741 0.051972
C 3.711235 1.554330 0.123254
C 5.217904 1.681573 0.008969
H -3.463913 -0.889599 0.257240
H 1.103861 1.509495 0.361485
H -1.166789 2.352511 0.397725
H -2.062320 1.720049 1.795836
H 0.830114 -3.434173 -0.637837
H -1.713598 -4.055285 0.354399
H -3.229269 -3.363059 -0.292451
H -1.855184 -3.673111 -1.391042
H 3.052539 -2.245640 -0.590040
H 3.172636 2.141863 -0.639920
H 3.336807 1.790661 1.133903
H 5.547096 2.711768 0.182312
H 5.727692 1.031797 0.734131
H 5.568196 1.372484 -0.985945
H -4.046476 3.622502 -0.797177


%chk=000271557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271557

0 1
O 3.569812 0.049883 -0.027759
O -3.505398 3.469577 0.369149
O -4.351276 1.324910 0.140556
N -1.624914 -2.013400 -0.223166
C -0.179913 -0.242270 -0.038214
C -0.265844 -1.668771 -0.190372
C -1.538216 0.264472 0.019695
C -2.384820 -0.842156 -0.096631
C 1.095995 0.385022 0.022893
C -1.883903 1.722011 0.176314
C 0.888573 -2.479346 -0.281934
C 2.243428 -0.430400 -0.070102
C -2.150153 -3.369788 -0.373924
C 2.141705 -1.848035 -0.220507
C -3.356781 2.078084 0.218837
C 3.763099 1.501739 0.115056
C 5.269507 1.750778 0.123978
H -3.471347 -0.867581 -0.096964
H 1.173305 1.470382 0.137735
H -1.438673 2.324036 -0.643351
H -1.433033 2.137541 1.101786
H 0.823547 -3.566410 -0.398018
H -1.803033 -4.024134 0.447596
H -3.250879 -3.338419 -0.350587
H -1.833838 -3.815215 -1.335930
H 3.070219 -2.422941 -0.286847
H 3.274080 2.026718 -0.732698
H 3.293083 1.848461 1.059612
H 5.477542 2.831170 0.230176
H 5.746278 1.217429 0.964073
H 5.727113 1.396038 -0.815327
H -4.476264 3.688915 0.395277


