%chk=000229443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229443

0 1
O -1.610561 -0.017686 -1.674879
O -2.139353 0.328433 0.515484
O 0.273630 -0.428272 2.435608
O 3.036428 -1.834633 -0.989875
N 1.028649 -0.606283 -1.047069
N 1.837011 -1.303495 0.970162
C 0.145853 0.046626 -0.031735
C 0.217929 1.577225 -0.032142
C -1.304564 -0.444154 -0.338705
C 0.678031 -0.544044 1.312997
C 1.612879 2.140899 0.251323
C 2.105912 -1.297870 -0.441621
C 1.610554 3.666296 0.193158
C -1.991190 -1.067879 -2.585615
C -3.544149 0.002358 0.449477
H -0.513265 1.956381 0.721644
H -0.168657 1.952461 -1.004896
H -1.448965 -1.529577 -0.194785
H 1.113259 -0.178574 -1.965093
H 2.348043 1.743501 -0.475594
H 1.962418 1.810791 1.251061
H 2.410263 -1.812329 1.637384
H 1.306713 4.036544 -0.792810
H 0.923173 4.098322 0.930849
H 2.608054 4.070774 0.402005
H -2.179691 -0.517292 -3.516799
H -2.900896 -1.567298 -2.242457
H -1.166729 -1.776349 -2.715590
H -3.920967 0.180659 -0.562490
H -3.979760 0.716126 1.161040
H -3.713152 -1.026563 0.776563


%chk=000229443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229443

0 1
O -1.523782 -0.026134 -1.772409
O -2.165017 0.344247 0.515203
O 0.284371 -0.288000 2.461496
O 2.900275 -2.040120 -1.049584
N 1.093951 -0.483079 -1.014990
N 1.739534 -1.364591 0.933939
C 0.181074 0.130753 -0.031395
C 0.258773 1.680311 0.013182
C -1.270070 -0.350829 -0.356830
C 0.695074 -0.504580 1.299778
C 1.674670 2.237153 0.274869
C 2.013036 -1.366805 -0.473061
C 1.692520 3.780549 0.239380
C -2.036343 -1.148245 -2.574897
C -3.563161 -0.092114 0.413992
H -0.435220 2.014300 0.804263
H -0.134875 2.066386 -0.947372
H -1.357759 -1.457113 -0.224644
H 1.034628 -0.286941 -2.012084
H 2.384175 1.840733 -0.477863
H 2.033195 1.892229 1.265153
H 2.288245 -1.918226 1.592152
H 1.374055 4.160501 -0.749727
H 1.007222 4.202623 0.997893
H 2.705305 4.173594 0.442254
H -2.181559 -0.745558 -3.589592
H -3.005148 -1.522325 -2.189375
H -1.311264 -1.985765 -2.611607
H -3.996018 0.200844 -0.560659
H -4.095205 0.421989 1.227934
H -3.647782 -1.190686 0.551205


