%chk=000184571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184571

0 1
O -5.104693 -0.017532 0.409729
O -3.813465 1.480873 -0.450619
O 5.400835 0.017809 0.018041
O 4.635187 -2.005300 -0.007866
N -4.025669 0.360361 -0.016172
N 4.490240 -0.794555 0.004623
C 0.545713 0.684270 0.001384
C 0.755552 -0.742308 -0.011503
C -0.858264 1.019839 -0.004451
C -1.576285 -0.271899 -0.019758
C -0.591065 -1.339770 -0.020071
C 1.580134 1.624042 0.016347
C 2.034756 -1.225907 -0.010896
C -2.920642 -0.622236 -0.013673
C -1.196934 2.348839 0.003401
C -0.963318 -2.669168 -0.020089
C 2.909625 1.104109 0.017239
C 3.103835 -0.267616 0.003800
C 1.183147 3.003111 0.028017
C -0.152173 3.332917 0.022473
C -3.296386 -1.992456 -0.001181
C -2.337802 -2.991315 -0.009823
H 2.274489 -2.292804 -0.021039
H -2.238867 2.689219 -0.010092
H -0.214935 -3.463056 -0.024715
H 3.766194 1.788771 0.028246
H 1.954266 3.773822 0.040089
H -0.454529 4.382910 0.029296
H -4.364075 -2.243970 0.020418
H -2.640871 -4.039802 -0.005355


%chk=000184571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184571

0 1
O -5.306383 -0.206915 0.001656
O -3.871415 1.549126 -0.002546
O 5.470798 0.027312 0.000187
O 4.641488 -2.096438 0.000783
N -4.110489 0.280794 -0.000195
N 4.491299 -0.813143 0.000433
C 0.535522 0.709171 -0.000419
C 0.731858 -0.704568 0.000012
C -0.859504 1.052861 -0.000601
C -1.604025 -0.246014 -0.000277
C -0.612693 -1.309652 0.000121
C 1.603162 1.645942 -0.000577
C 2.026694 -1.222203 0.000303
C -2.964539 -0.660842 -0.000027
C -1.173668 2.424193 -0.000988
C -0.959975 -2.669491 0.000523
C 2.931674 1.115149 -0.000317
C 3.104119 -0.277991 0.000121
C 1.243699 3.036719 -0.000948
C -0.111753 3.392303 -0.001127
C -3.317534 -2.037397 0.000396
C -2.327249 -3.034065 0.000615
H 2.262051 -2.289372 0.000644
H -2.207391 2.764684 -0.001271
H -0.182225 -3.440067 0.000778
H 3.813081 1.763283 -0.000415
H 2.022988 3.806846 -0.001084
H -0.386886 4.452358 -0.001430
H -4.379789 -2.292964 0.000593
H -2.618913 -4.088421 0.000855


