%chk=000183994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183994

0 1
O 2.742569 -3.120471 0.286025
O -1.242012 -3.169959 -0.485509
N 0.404660 0.441065 -0.373084
N -0.505659 0.152659 0.426196
C 2.503259 -0.774961 0.117771
C 1.774056 0.434852 0.107493
C 2.408626 1.660003 0.403930
C 1.824112 -2.098567 -0.173559
C 1.661398 2.966368 0.402798
C 3.871503 -0.744109 0.407343
C -2.614727 1.237714 -0.421721
C 3.781248 1.656389 0.693955
C -1.867706 0.091777 -0.073085
C 4.507822 0.465202 0.694590
C -2.021292 2.619113 -0.400487
C 1.518348 -2.292162 -1.653407
C -2.477096 -1.178363 -0.071018
C 1.601082 3.558008 -1.005237
C -3.965131 1.078305 -0.770203
C -3.817738 -1.314232 -0.440743
C -4.561085 -0.183764 -0.789430
C -2.066664 3.209028 1.008444
C -1.712668 -2.411280 0.331226
C -1.591847 -2.621461 1.808086
H 0.906702 -2.214374 0.453003
H 0.636762 2.831813 0.807399
H 2.147257 3.687606 1.092580
H 4.430852 -1.685308 0.416074
H 4.284186 2.596048 0.918748
H 5.573075 0.476873 0.920893
H -0.977059 2.605668 -0.780761
H -2.565210 3.283740 -1.103972
H 2.419264 -2.557972 -2.218189
H 1.111389 -1.381115 -2.113485
H 0.763747 -3.078330 -1.805803
H 2.605087 3.772505 -1.391368
H 1.030454 4.492031 -1.021969
H 1.130743 2.860013 -1.711534
H -4.556109 1.955895 -1.034982
H -4.279886 -2.301439 -0.461687
H -5.606573 -0.288338 -1.077318
H -3.097125 3.297970 1.373332
H -1.618460 4.208416 1.035110
H -1.525152 2.578838 1.726367
H 2.491054 -3.987600 -0.085799
H -2.571532 -2.638966 2.303646
H -1.020359 -1.801406 2.277180
H -1.074864 -3.561724 2.046860


%chk=000183994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183994

0 1
O 2.663871 -3.132088 0.259156
O -1.633809 -3.532472 -0.443264
N 0.305213 0.785889 0.129974
N -0.472540 -0.264070 0.054994
C 2.402931 -0.720510 0.224681
C 1.711815 0.550033 0.274007
C 2.459346 1.763704 0.493997
C 1.730902 -2.046945 -0.128141
C 1.807594 3.139153 0.458909
C 3.796604 -0.740064 0.453672
C -2.600814 1.118910 -0.499114
C 3.853090 1.687649 0.710607
C -1.881090 -0.074083 -0.143761
C 4.519394 0.446171 0.703011
C -1.995972 2.511912 -0.540703
C 1.418316 -2.142102 -1.641447
C -2.572952 -1.327308 -0.074593
C 1.793359 3.729927 -0.977818
C -3.978831 0.984658 -0.809441
C -3.940489 -1.422090 -0.396371
C -4.647448 -0.257039 -0.768386
C -1.998998 3.171622 0.865655
C -1.836617 -2.581452 0.361224
C -1.494471 -2.689425 1.842543
H 0.794919 -2.150332 0.440582
H 0.776269 3.086553 0.837305
H 2.375290 3.822114 1.119475
H 4.296539 -1.711040 0.438924
H 4.412695 2.613059 0.891079
H 5.599039 0.398295 0.884767
H -0.957166 2.471189 -0.905158
H -2.587165 3.140183 -1.234027
H 2.359831 -2.111738 -2.218007
H 0.768940 -1.314839 -1.971171
H 0.883488 -3.084541 -1.862535
H 2.818275 3.815373 -1.382551
H 1.336100 4.736549 -0.982553
H 1.214226 3.083498 -1.661303
H -4.532896 1.885436 -1.100881
H -4.440794 -2.395469 -0.364274
H -5.709573 -0.317775 -1.028944
H -3.025053 3.232475 1.271924
H -1.586299 4.195888 0.816242
H -1.384758 2.583490 1.570292
H 2.258313 -3.988838 -0.025908
H -2.434393 -2.763580 2.424778
H -0.966386 -1.787081 2.194177
H -0.884547 -3.586850 2.033076


