%chk=000186589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186589

0 1
O 1.420820 2.865868 0.187280
O -6.455422 -0.140556 -0.126894
O 3.656720 3.173295 -0.645529
N 3.722718 1.106060 0.425281
C -0.271398 -0.471879 0.061399
C 0.865193 -1.356791 0.092341
C -1.607436 -0.996065 0.026907
C -0.052837 0.961897 0.048610
C 2.208324 -0.822343 0.118999
C 0.661839 -2.783301 0.078755
C -2.741173 -0.083896 -0.018206
C 2.392123 0.625261 0.194057
C 1.305218 1.489894 0.126136
C -2.485127 1.344453 -0.034570
C -1.147172 1.834677 -0.001242
C -1.775175 -2.427415 0.031945
C -0.687372 -3.286114 0.055699
C 3.298714 -1.733850 0.082082
C 1.785728 -3.660765 0.080617
C -4.096360 -0.532107 -0.051292
C 3.085817 -3.134287 0.070318
C -3.592651 2.254153 -0.082994
C -5.151251 0.384430 -0.097656
C -4.907062 1.794620 -0.114431
C 4.309852 2.273546 -0.003723
C 5.789773 2.433726 0.317434
H -0.958560 2.911907 -0.008976
H -2.782558 -2.852192 0.010583
H -0.840157 -4.371489 0.051847
H 4.330681 -1.372435 0.011691
H 1.621589 -4.743994 0.073310
H -4.350714 -1.594294 -0.041064
H 3.949706 -3.807256 0.040562
H -3.386789 3.330152 -0.094715
H 4.322505 0.460842 0.947646
H -5.746399 2.500978 -0.151351
H 2.337844 3.159596 -0.179975
H -7.128060 0.583930 -0.157797
H 6.013509 2.196531 1.373153
H 6.080911 3.474318 0.116577
H 6.401888 1.770994 -0.322014


%chk=000186589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186589

0 1
O 1.369371 2.886021 0.104588
O -6.467189 -0.158681 -0.114122
O 3.764409 3.217182 -0.620870
N 3.736465 1.098023 0.373931
C -0.281116 -0.462796 0.060112
C 0.858045 -1.341834 0.105267
C -1.615442 -0.992722 0.040281
C -0.068311 0.970488 0.017986
C 2.198939 -0.801806 0.117446
C 0.659945 -2.769219 0.120336
C -2.752891 -0.086151 -0.019332
C 2.384060 0.646395 0.163969
C 1.286097 1.513363 0.079781
C -2.502378 1.342246 -0.064871
C -1.165971 1.837388 -0.045558
C -1.778131 -2.424118 0.074063
C -0.687175 -3.277776 0.111278
C 3.291731 -1.710838 0.094761
C 1.786640 -3.642864 0.136084
C -4.106436 -0.539953 -0.038900
C 3.084223 -3.112006 0.111155
C -3.613246 2.246856 -0.127417
C -5.164913 0.371654 -0.099768
C -4.926132 1.782106 -0.145170
C 4.366692 2.258778 -0.007980
C 5.840448 2.377967 0.336807
H -0.980094 2.914818 -0.074999
H -2.783988 -2.852943 0.064035
H -0.835560 -4.363626 0.129047
H 4.323201 -1.349473 0.011803
H 1.626308 -4.726572 0.150361
H -4.356811 -1.602649 -0.006601
H 3.950748 -3.781946 0.091375
H -3.411219 3.323110 -0.161085
H 4.321771 0.422187 0.872355
H -5.768227 2.484512 -0.193048
H 2.304681 3.199462 -0.239349
H -7.142671 0.562536 -0.157020
H 6.265821 1.463502 0.784025
H 5.985703 3.218214 1.037957
H 6.400402 2.621266 -0.581914


