%chk=000184036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184036

0 1
O -4.076900 -0.056635 0.982089
O -4.627881 -1.024721 0.043001
O -0.511752 -0.504741 0.082157
O 0.231358 1.558134 0.771641
O 3.397628 -0.870167 -0.189865
O 4.738879 0.950434 -0.025720
N 1.245440 0.403606 -1.007747
C -2.867283 0.158280 0.134472
C -3.507969 -0.800458 -0.930808
C -1.684291 -0.394581 0.938585
C -2.720354 1.616553 -0.215889
C -2.795709 -2.108205 -1.192427
C -4.061315 -0.153533 -2.180368
C 0.336414 0.590643 0.050599
C 2.494817 1.184809 -0.953950
C 3.679206 0.463813 -0.330457
C 4.408028 -1.727159 0.443436
C 4.383871 -1.520857 1.941139
H -1.460450 0.237976 1.819486
H -1.839459 -1.442089 1.260286
H -3.701586 2.107294 -0.289903
H -2.143144 2.172646 0.541449
H -2.198373 1.755520 -1.171060
H -2.890993 -2.791037 -0.335761
H -3.202801 -2.639463 -2.061069
H -1.722510 -1.947023 -1.373967
H -4.717356 -0.845693 -2.726074
H -4.676607 0.725828 -1.941709
H -3.264006 0.161400 -2.862991
H 1.354719 -0.554760 -1.362558
H 2.767331 1.479256 -2.000327
H 2.329709 2.148922 -0.397119
H 5.390158 -1.496801 -0.006445
H 4.050379 -2.725121 0.129894
H 3.367695 -1.608823 2.348210
H 4.756281 -0.521746 2.215610
H 5.013322 -2.256004 2.457962


%chk=000184036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184036

0 1
O -4.584899 0.825007 0.096358
O -4.894068 -0.715448 -0.008269
O -0.936078 0.024236 0.649499
O -0.160577 2.227184 1.068801
O 3.486401 -0.841963 -0.000622
O 4.908607 0.995967 0.250031
N 1.286430 0.472429 0.511827
C -3.154169 0.522513 -0.374015
C -3.661572 -0.857489 -0.926132
C -2.329430 0.454761 0.923677
C -2.644919 1.581672 -1.340830
C -2.906355 -2.139885 -0.585321
C -4.138351 -0.829152 -2.382499
C 0.058426 1.024565 0.770027
C 2.497309 1.286366 0.582769
C 3.762733 0.499247 0.267741
C 4.660303 -1.727730 -0.298983
C 5.252986 -2.287149 0.995742
H -2.314361 1.452333 1.397197
H -2.756906 -0.286483 1.616445
H -3.322234 1.702449 -2.200113
H -2.547627 2.553393 -0.825811
H -1.642655 1.304721 -1.716233
H -2.507896 -2.136554 0.440093
H -3.590234 -3.002136 -0.691423
H -2.063715 -2.285456 -1.284855
H -4.670666 -1.768165 -2.615446
H -4.835013 0.009336 -2.547761
H -3.286538 -0.732486 -3.081019
H 1.373967 -0.521870 0.296830
H 2.447608 2.140754 -0.119935
H 2.621378 1.734907 1.588194
H 5.401881 -1.135719 -0.862789
H 4.232367 -2.515251 -0.939059
H 4.487826 -2.821734 1.584280
H 5.682986 -1.480770 1.612896
H 6.061549 -3.000903 0.752508


