%chk=000236458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236458

0 1
O 1.766726 -1.230007 -0.016811
N 0.641906 0.807539 0.039541
N 3.004110 0.737681 0.060242
C -3.116784 0.900884 0.006666
C -3.431500 -0.520598 -0.043464
C -1.768788 1.334092 0.034069
C -2.373954 -1.458975 -0.064374
C -0.706218 0.323328 0.010673
C -1.006831 -1.007295 -0.036317
C -4.150891 1.877609 0.029039
C -1.494837 2.727140 0.083071
C -4.769220 -0.998257 -0.072136
C -2.667356 -2.850106 -0.113243
C -3.860640 3.225712 0.076634
C -2.515308 3.656884 0.104066
C -5.037643 -2.351853 -0.119516
C -3.975943 -3.287076 -0.140265
C 1.799810 -0.015615 0.023632
C 4.322435 0.174308 0.053995
C 5.399641 1.085672 0.094940
C 4.560551 -1.209209 0.009740
C 6.706304 0.596506 0.090915
C 5.876734 -1.673374 0.006642
C 6.951699 -0.779552 0.046936
H -0.220181 -1.772667 -0.054198
H -5.190535 1.543468 0.007829
H -0.460479 3.073415 0.104690
H -5.589928 -0.279245 -0.056223
H -1.842694 -3.562407 -0.128909
H 0.746201 1.825631 0.073795
H -4.660074 3.965458 0.093409
H -2.295391 4.722346 0.141654
H -6.064364 -2.711938 -0.141308
H -4.204332 -4.351334 -0.177660
H 2.962786 1.756419 0.094303
H 5.226455 2.157208 0.129371
H 3.727611 -1.919643 -0.022031
H 7.541216 1.296303 0.122421
H 6.063735 -2.747219 -0.027703
H 7.972774 -1.152528 0.044089


%chk=000236458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236458

0 1
O 1.787142 -1.429653 -0.029997
N 0.648294 0.642031 0.020864
N 2.977652 0.605379 0.044264
C -3.128725 0.901708 0.008880
C -3.510436 -0.511813 -0.042592
C -1.733036 1.277398 0.028411
C -2.466239 -1.502585 -0.072113
C -0.710132 0.226298 -0.002345
C -1.082195 -1.111123 -0.050879
C -4.110365 1.939841 0.041029
C -1.403114 2.669767 0.078247
C -4.867005 -0.958135 -0.065210
C -2.810319 -2.890648 -0.123091
C -3.759428 3.293852 0.089935
C -2.388217 3.664058 0.108580
C -5.184469 -2.322816 -0.115168
C -4.147784 -3.299723 -0.144591
C 1.801553 -0.165813 0.008310
C 4.325396 0.146081 0.049264
C 5.343114 1.139100 0.090031
C 4.688004 -1.227312 0.016953
C 6.702404 0.768902 0.098797
C 6.054904 -1.579915 0.026222
C 7.069489 -0.596679 0.066919
H -0.308025 -1.880319 -0.072670
H -5.171634 1.676673 0.027190
H -0.360177 3.010362 0.094795
H -5.686415 -0.233526 -0.043698
H -2.002373 -3.630699 -0.145213
H 0.792402 1.650441 0.054326
H -4.537425 4.064024 0.113768
H -2.101867 4.720413 0.146860
H -6.233227 -2.638858 -0.131798
H -4.400206 -4.364848 -0.184016
H 2.880157 1.622715 0.071899
H 5.068923 2.202731 0.115184
H 3.906330 -1.987507 -0.014466
H 7.472888 1.547164 0.130590
H 6.325611 -2.641569 0.001049
H 8.125351 -0.886695 0.073685


