%chk=000216202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216202

0 1
O 0.144957 0.271105 1.524454
O 0.142918 3.134085 -2.223821
O -0.116851 4.356262 -0.365157
O -4.656153 1.116390 1.681066
O -6.450152 -0.205526 0.113613
O 5.246312 -2.608868 0.102854
N 0.489059 0.927138 -0.630667
N 1.104591 -2.171508 -0.275575
C 1.098863 2.206987 -0.231418
C -0.184464 -1.422780 -0.224528
C 2.581648 2.316747 -0.658919
C -1.156993 -2.143425 0.731940
C 0.164533 -0.031545 0.349013
C -2.566281 -1.653723 0.547495
C 3.320876 1.029222 -0.425471
C 0.309842 3.352097 -0.873300
C -2.978103 -0.478876 1.201038
C -3.458386 -2.361310 -0.267325
C 3.474130 0.525312 0.877678
C 3.836119 0.310028 -1.516185
C -4.286359 -0.029108 1.030931
C -4.776454 -1.916233 -0.444153
C 4.120535 -0.689803 1.097394
C 4.484155 -0.908610 -1.323204
C -5.184972 -0.754831 0.203302
C 4.610659 -1.395318 -0.012411
H 1.009093 2.317264 0.894215
H -0.676182 -1.313954 -1.227305
H -0.819732 -1.980643 1.784975
H -1.095909 -3.240531 0.586934
H 2.648936 2.615284 -1.727218
H 3.065627 3.142040 -0.093576
H 0.563912 0.695940 -1.617796
H 1.773262 -1.727205 -0.900703
H 0.960174 -3.123660 -0.595218
H -2.288553 0.084144 1.838891
H -3.136875 -3.270984 -0.769511
H 3.067880 1.077178 1.727888
H 3.733364 0.704057 -2.527298
H -5.462595 -2.473752 -1.075557
H 4.220113 -1.086581 2.103629
H 4.895803 -1.477919 -2.152833
H -0.390831 3.849912 -2.663066
H -5.610926 1.341819 1.489572
H -7.044517 -0.759484 -0.446120
H 5.272428 -2.925634 1.039650


%chk=000216202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216202

0 1
O 0.401445 -0.085065 1.502241
O -0.631791 2.795101 -1.985786
O 0.123766 4.341606 -0.421591
O -4.528130 1.158919 1.933186
O -6.383002 0.273631 0.185413
O 5.746780 -2.324518 0.423408
N 0.434239 0.707031 -0.686185
N 1.036475 -2.488241 -0.371207
C 0.954062 2.020929 -0.317962
C -0.173065 -1.654358 -0.333747
C 2.441726 2.242877 -0.795319
C -1.254430 -2.337346 0.551941
C 0.228702 -0.283769 0.263167
C -2.623780 -1.683298 0.443495
C 3.336905 1.064773 -0.449078
C 0.113255 3.172285 -0.856323
C -2.951998 -0.562472 1.251469
C -3.582969 -2.167003 -0.482350
C 3.607937 0.718504 0.898845
C 3.896166 0.255855 -1.472023
C -4.208702 0.057122 1.131305
C -4.850998 -1.549754 -0.608025
C 4.406680 -0.397306 1.219674
C 4.697609 -0.865815 -1.170847
C -5.157722 -0.440586 0.198918
C 4.948783 -1.192922 0.181046
H 0.923767 2.067403 0.785812
H -0.623633 -1.474011 -1.344634
H -0.873632 -2.314194 1.588028
H -1.319961 -3.398266 0.240461
H 2.444723 2.406280 -1.889888
H 2.795887 3.179107 -0.324115
H 0.181178 0.535406 -1.660814
H 1.900690 -2.048949 -0.695399
H 0.902667 -3.452682 -0.678146
H -2.233416 -0.167234 1.976552
H -3.346148 -3.038979 -1.102801
H 3.171636 1.308248 1.712712
H 3.706332 0.506789 -2.522878
H -5.588604 -1.937117 -1.322705
H 4.587910 -0.655676 2.270734
H 5.135731 -1.486114 -1.958394
H -1.144953 3.579008 -2.321027
H -5.454020 1.449784 1.720415
H -7.031046 -0.122824 -0.443956
H 5.835450 -2.490959 1.394574


