%chk=000229318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229318

0 1
O 3.157148 -0.956444 -0.032860
O 3.206340 1.284436 0.274067
N -1.327373 2.009362 0.206620
C -0.826580 -0.134312 -0.445018
C 0.318520 0.706834 -0.692613
C -1.848260 0.699494 0.115979
C -0.009425 2.002023 -0.281988
C -3.116805 0.186545 0.475527
C 1.600630 0.267963 -1.289758
C -1.082176 -1.504398 -0.643688
C -2.325493 -2.008897 -0.290862
C -3.332599 -1.165892 0.262798
C 0.814111 3.226554 -0.305246
C -4.160553 1.080928 1.057402
C -2.642811 -3.458887 -0.482392
C 2.713517 0.321755 -0.270104
C 4.241828 -1.150493 0.927951
C 5.567541 -0.791326 0.288691
H -1.815357 2.798394 0.579321
H 1.504797 -0.764110 -1.701061
H 1.877595 0.918009 -2.150616
H -0.307445 -2.141160 -1.059472
H -4.291283 -1.608534 0.522661
H 1.852973 2.994091 0.019656
H 0.888003 3.642936 -1.321027
H 0.447633 4.020265 0.356273
H -3.820343 1.529981 2.000890
H -4.418950 1.895816 0.367184
H -5.093127 0.543838 1.279045
H -2.899717 -3.938034 0.472653
H -3.499232 -3.591948 -1.157834
H -1.803752 -4.022398 -0.909713
H 4.025931 -0.546384 1.826944
H 4.138783 -2.229335 1.144283
H 6.410822 -1.061303 0.934425
H 5.702926 -1.302290 -0.672761
H 5.631884 0.290122 0.094742


%chk=000229318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229318

0 1
O 2.961847 -0.916690 -0.057884
O 3.391462 1.371570 0.122678
N -1.379112 2.067367 0.170693
C -0.750616 -0.023104 -0.494634
C 0.324477 0.906390 -0.794520
C -1.811788 0.735095 0.104012
C -0.083773 2.176811 -0.366736
C -3.034281 0.153077 0.520703
C 1.651470 0.561458 -1.440409
C -0.919625 -1.421957 -0.676737
C -2.124439 -2.033233 -0.274138
C -3.159463 -1.236911 0.314871
C 0.629647 3.498267 -0.419967
C -4.134499 0.986407 1.151384
C -2.340762 -3.528235 -0.452038
C 2.757594 0.421506 -0.397585
C 3.976679 -1.190711 1.008604
C 5.374820 -1.330750 0.400222
H -1.911080 2.844149 0.557044
H 1.563143 -0.382731 -2.002080
H 1.963573 1.355300 -2.141852
H -0.116697 -2.026120 -1.115008
H -4.090988 -1.730830 0.622096
H 1.706187 3.341598 -0.594001
H 0.234755 4.152945 -1.221959
H 0.534613 4.048014 0.535860
H -3.799743 1.460130 2.095867
H -4.473266 1.797934 0.476743
H -5.014764 0.365359 1.388079
H -2.534192 -4.027803 0.516647
H -3.210553 -3.737419 -1.104128
H -1.458253 -4.010874 -0.906754
H 3.939719 -0.369598 1.745809
H 3.625468 -2.130138 1.464520
H 6.097857 -1.617909 1.186376
H 5.387968 -2.109745 -0.381633
H 5.706315 -0.375417 -0.040047


