%chk=000189012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189012

0 1
O -1.229213 -0.761519 1.060233
O -2.135008 2.284521 0.220480
O -3.534710 0.747990 -1.404844
O 0.763950 -1.149952 -1.752135
O -3.263842 -3.029832 1.123192
O 1.502578 2.334114 0.691707
O 4.789102 -0.647448 -0.682484
N 0.874985 0.109211 0.337160
N 3.108139 0.811624 -0.067124
C -0.510032 0.470888 0.750001
C -1.308183 1.219038 -0.359422
C -2.314275 0.163590 -0.886835
C -2.541977 -0.747831 0.351998
C 1.140801 -1.175532 -0.325150
C -2.952555 -2.170179 -0.022049
C 2.602232 -1.595458 -0.100210
C 1.793003 1.149102 0.352960
C 3.610917 -0.473884 -0.328013
H -0.423715 1.106851 1.649312
H -0.645335 1.619778 -1.145337
H -1.852853 -0.415092 -1.704331
H -3.295317 -0.275643 1.017998
H 0.445010 -1.909061 0.102995
H -2.119783 -2.678123 -0.536764
H -3.815221 -2.097170 -0.719260
H 2.859075 -2.441525 -0.756949
H 2.723100 -1.942068 0.944398
H -1.562494 3.055053 0.458330
H -3.684299 1.589383 -0.890424
H 3.763902 1.598256 -0.121643
H 1.449385 -0.666101 -2.282852
H -4.002569 -2.623581 1.643665


%chk=000189012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189012

0 1
O -1.228805 -0.764232 1.058199
O -2.129542 2.287575 0.221402
O -3.539868 0.754278 -1.395313
O 0.764638 -1.160335 -1.746824
O -3.273108 -3.030112 1.117743
O 1.497025 2.337196 0.684638
O 4.805701 -0.646610 -0.691618
N 0.875276 0.108480 0.336846
N 3.105840 0.816185 -0.073251
C -0.509998 0.468747 0.749915
C -1.307697 1.218451 -0.358752
C -2.318222 0.166132 -0.884349
C -2.542753 -0.748889 0.352392
C 1.143571 -1.178533 -0.320120
C -2.953332 -2.170387 -0.025123
C 2.606224 -1.594082 -0.095269
C 1.790728 1.151115 0.348107
C 3.614474 -0.471569 -0.331296
H -0.424472 1.103182 1.650441
H -0.644631 1.616204 -1.145987
H -1.861862 -0.411081 -1.705731
H -3.295147 -0.279232 1.021229
H 0.450142 -1.911936 0.111998
H -2.117984 -2.679224 -0.534705
H -3.811457 -2.095848 -0.727767
H 2.863588 -2.443616 -0.747374
H 2.729205 -1.933869 0.951281
H -1.552760 3.054068 0.462007
H -3.683860 1.596148 -0.880058
H 3.758447 1.605135 -0.131314
H 1.447242 -0.675430 -2.280187
H -4.021802 -2.628510 1.627443


