%chk=000194651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194651

0 1
O 0.031496 0.025217 0.397720
O 2.008222 -0.020325 1.580515
O -1.936728 0.063865 1.599971
O 0.339904 2.542004 -0.389942
O 3.752770 -0.607873 -1.621600
O -0.250936 -2.574088 -0.247662
O -2.697880 -2.166894 -1.765268
O -3.607298 0.672251 -1.643403
O 4.249221 -2.577165 0.321874
O -4.203400 2.602474 0.353540
N 2.749251 2.106313 -2.036933
C 2.206440 1.099917 -1.094750
C 1.500435 1.842021 0.068378
C 0.964796 0.834986 1.115623
C 3.271449 0.140562 -0.500622
C -0.868365 -0.774083 1.164660
C -1.399780 -1.826098 0.162237
C 2.621417 -0.813338 0.528224
C -2.063686 -1.109495 -1.033142
C -3.119057 -0.093177 -0.538042
C -2.539933 0.851721 0.540288
C 3.646827 -1.681534 1.268902
C -3.629653 1.662387 1.260961
H 1.438703 0.484245 -1.644399
H 2.174230 2.579097 0.563053
H 0.538570 1.279843 2.034572
H 4.126539 0.694271 -0.055246
H -0.423896 -1.175348 2.094180
H -2.115577 -2.524349 0.656871
H 1.821592 -1.434190 0.046493
H -1.299019 -0.630482 -1.687143
H -4.036853 -0.625023 -0.188915
H -1.748920 1.521259 0.110976
H 3.181067 -2.242227 2.098100
H 4.503650 -1.100263 1.659240
H -3.195769 2.295801 2.060118
H -4.416507 1.018036 1.690291
H 3.024156 1.650893 -2.908022
H 3.585206 2.551037 -1.664800
H 0.559908 3.020065 -1.231208
H 4.310565 -1.372359 -1.299712
H -0.492810 -3.131895 -1.028731
H -3.290750 -1.788621 -2.456382
H -2.910194 1.277957 -1.991039
H 3.618719 -3.293023 0.081766
H -4.599620 2.130031 -0.423794


%chk=000194651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194651

0 1
O 0.038205 -0.024946 0.276557
O 2.048245 -0.080363 1.589484
O -1.964464 0.114402 1.599304
O 0.560735 2.665968 -0.474560
O 4.059504 -0.541061 -1.593688
O -0.504116 -2.737243 -0.312810
O -2.889806 -2.189397 -1.794629
O -3.948071 0.580405 -1.615965
O 4.571505 -2.520884 0.315452
O -4.414373 2.635900 0.327110
N 2.831742 2.144257 -1.993913
C 2.358173 1.097881 -1.059965
C 1.594132 1.806557 0.083930
C 0.986446 0.770778 1.040363
C 3.435081 0.165183 -0.473142
C -0.919015 -0.769300 1.075720
C -1.545242 -1.825732 0.153796
C 2.775619 -0.825922 0.522807
C -2.255399 -1.120697 -1.011813
C -3.291201 -0.119051 -0.476856
C -2.664320 0.880890 0.526616
C 3.802310 -1.686399 1.273992
C -3.719078 1.736554 1.251287
H 1.637662 0.469350 -1.614783
H 2.314805 2.408025 0.684318
H 0.503835 1.229182 1.920832
H 4.193076 0.768505 0.082026
H -0.445404 -1.212251 1.968944
H -2.309985 -2.378738 0.739503
H 2.054209 -1.465284 -0.027784
H -1.500331 -0.585251 -1.625920
H -4.122254 -0.669822 -0.000134
H -1.929037 1.531715 0.008624
H 3.299131 -2.312412 2.034100
H 4.555824 -1.053769 1.770531
H -3.220791 2.388562 1.985500
H -4.428289 1.070668 1.788114
H 3.093698 1.752997 -2.906244
H 3.615473 2.690975 -1.609362
H 0.975989 3.002069 -1.325168
H 4.576493 -1.302750 -1.199593
H -0.915147 -3.302296 -1.017894
H -3.473589 -1.770514 -2.477775
H -3.281327 1.185181 -2.037877
H 4.024448 -3.303829 0.054069
H -4.786601 2.086308 -0.415307


