%chk=000224832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224832

0 1
O -4.113940 3.170095 -0.000245
O -1.955945 3.133791 0.000126
O -5.798810 -2.751818 -0.000339
O -6.750207 -0.806440 -0.000079
O 7.585727 -0.361157 0.000190
O 6.609367 1.570810 -0.000634
N -0.643302 0.912603 0.000117
N -3.056105 2.573817 -0.000057
N 0.476105 0.110775 0.000050
N -5.771269 -1.532502 -0.000192
N 6.597101 0.351383 -0.000255
C -1.892987 0.308272 -0.000042
C -3.077034 1.115627 -0.000066
C -4.448374 -0.887651 -0.000166
C -4.346451 0.496097 -0.000111
C -2.039184 -1.115400 -0.000145
C -3.280154 -1.700945 -0.000202
C 2.859099 -0.162835 -0.000098
C 4.113139 0.468612 -0.000053
C 5.272266 -0.317271 -0.000307
C 2.789791 -1.569737 -0.000420
C 1.650857 0.683703 0.000200
C 5.209624 -1.718765 -0.000614
C 3.957688 -2.336852 -0.000676
H -5.257110 1.124548 -0.000105
H -1.136057 -1.735543 -0.000180
H -3.398369 -2.793790 -0.000276
H -0.575757 1.963616 0.000199
H 4.203511 1.561590 0.000165
H 1.813280 -2.064306 -0.000468
H 1.837640 1.772311 0.000298
H 6.134164 -2.307990 -0.000790
H 3.892196 -3.426946 -0.000924


%chk=000224832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224832

0 1
O -4.097158 3.254880 0.000534
O -1.824602 3.128434 -0.000025
O -5.958191 -2.738027 -0.000040
O -6.886247 -0.649097 0.000375
O 7.696415 -0.254139 -0.000001
O 6.582958 1.736657 0.000046
N -0.642156 0.806884 -0.000349
N -3.012780 2.565847 0.000134
N 0.462859 -0.020196 -0.000628
N -5.871454 -1.447575 0.000045
N 6.613931 0.446632 0.000258
C -1.913886 0.266681 -0.000274
C -3.091572 1.101662 -0.000004
C -4.518910 -0.854748 -0.000064
C -4.385888 0.537838 0.000109
C -2.105424 -1.152534 -0.000453
C -3.382163 -1.709395 -0.000349
C 2.880127 -0.213799 -0.000457
C 4.123105 0.469675 -0.000157
C 5.314574 -0.280353 -0.000053
C 2.871976 -1.640623 -0.000618
C 1.642463 0.572366 -0.000588
C 5.322239 -1.690859 -0.000223
C 4.079234 -2.364342 -0.000505
H -5.265399 1.186821 0.000312
H -1.213601 -1.781247 -0.000660
H -3.532933 -2.792026 -0.000477
H -0.596968 1.849233 -0.000113
H 4.180577 1.562849 -0.000012
H 1.908465 -2.158850 -0.000846
H 1.746736 1.673819 -0.000247
H 6.275113 -2.226217 -0.000130
H 4.059058 -3.458549 -0.000640


