%chk=000189689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189689

0 1
O 1.907761 -0.857246 0.607678
O 0.797331 2.313206 -0.694737
O -4.512762 -2.166459 0.106996
O -5.221171 -0.185197 -0.656183
N -0.219311 0.851614 0.748472
N 3.108241 -1.523312 0.461806
C -2.598086 0.949579 -0.028896
C -1.488827 1.613880 0.797133
C -3.106199 -0.350004 0.599632
C 0.828558 1.270947 -0.063795
C 2.012925 0.371250 -0.074621
C -4.373731 -0.805147 -0.061405
C 3.254900 0.472863 -0.637632
C 3.936602 -0.763214 -0.273519
C 5.314358 -1.149781 -0.637805
H -2.241197 0.758909 -1.063160
H -3.442529 1.666040 -0.144983
H -1.792710 1.724314 1.862242
H -1.305353 2.647683 0.405074
H -3.304208 -0.218243 1.687278
H -2.338451 -1.153159 0.537911
H -0.198589 -0.048976 1.220299
H 3.663361 1.275578 -1.225046
H 5.815412 -0.379902 -1.242223
H 5.934558 -1.323736 0.258205
H 5.329447 -2.088457 -1.217909
H -5.346329 -2.523429 -0.301409


%chk=000189689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189689

0 1
O 2.012386 -0.653353 0.920212
O 0.598922 2.119564 -0.991348
O -4.456205 -2.244576 0.150997
O -4.951712 -0.292550 -1.004862
N -0.223604 0.919173 0.847402
N 3.301486 -1.351218 0.772208
C -2.632936 1.062830 0.095849
C -1.487004 1.672486 0.936401
C -3.021387 -0.355179 0.552966
C 0.722687 1.205680 -0.118141
C 1.942724 0.349762 -0.061265
C -4.223208 -0.902852 -0.193455
C 3.098113 0.332725 -0.818819
C 3.907842 -0.728709 -0.271924
C 5.269491 -1.188110 -0.711815
H -2.334376 1.050730 -0.967425
H -3.513088 1.728880 0.165240
H -1.777302 1.732233 2.002448
H -1.283772 2.695612 0.574990
H -3.269452 -0.372281 1.634064
H -2.185200 -1.067673 0.421525
H -0.025092 0.165669 1.510754
H 3.333156 0.990500 -1.650797
H 6.005152 -0.368262 -0.629571
H 5.611634 -2.029406 -0.088114
H 5.250687 -1.517235 -1.766025
H -5.255941 -2.574840 -0.342091


