%chk=000214397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214397

0 1
O 6.258870 -1.408127 -0.557046
O 0.746457 2.898614 0.452088
N 3.713212 -0.228055 -0.036512
N 0.123379 0.705116 0.615826
N -0.780872 -0.290784 0.555608
C 2.381743 0.358492 -0.385262
C 3.822409 -1.647760 -0.507253
C 4.838046 0.588951 -0.597386
C 1.528254 0.270203 0.899004
C 5.175653 -2.210791 -0.044405
C 6.166728 -0.031466 -0.135824
C -0.169815 2.098010 0.394222
C -1.592472 2.385122 0.124919
C -2.052233 0.008624 0.301567
C -2.494681 1.371394 0.080845
C -1.953999 3.823924 -0.100927
C -3.025484 -1.106738 0.251346
C -2.205656 4.111938 -1.579945
C -3.889800 -1.225111 -0.849223
C -3.089330 -2.038521 1.298632
C -4.818266 -2.267606 -0.892549
C -4.022216 -3.078037 1.246892
C -4.887742 -3.192894 0.154787
H 1.875017 -0.156432 -1.227896
H 2.472922 1.428353 -0.684133
H 3.732928 -1.746710 -1.610696
H 2.993202 -2.232619 -0.055165
H 4.748902 1.624136 -0.201531
H 4.817478 0.652781 -1.706348
H 1.948240 0.943512 1.683177
H 1.529857 -0.764133 1.310355
H 5.247880 -2.250315 1.056789
H 5.387363 -3.202264 -0.480701
H 7.037654 0.428113 -0.634342
H 6.280618 0.016296 0.961617
H -3.553867 1.550424 -0.110651
H -2.848737 4.088852 0.499722
H -1.135323 4.483335 0.271779
H -3.026587 3.507513 -1.980805
H -1.313759 3.900875 -2.183906
H -2.461849 5.166609 -1.736040
H -3.830205 -0.513619 -1.670881
H -2.407915 -1.952667 2.145101
H -5.488036 -2.361502 -1.746060
H -4.072260 -3.800902 2.060058
H -5.613611 -4.003333 0.117653


%chk=000214397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214397

0 1
O 6.210422 -1.504889 -0.408048
O 0.666929 3.029064 0.444049
N 3.655141 -0.168627 -0.087569
N 0.041630 0.771579 0.608740
N -0.838492 -0.278629 0.524131
C 2.287018 0.294783 -0.395296
C 3.768893 -1.645462 0.020743
C 4.691931 0.367784 -1.005950
C 1.443108 0.392989 0.900668
C 5.178340 -2.028771 0.501843
C 6.087151 -0.039567 -0.504425
C -0.256620 2.152359 0.383163
C -1.674151 2.426316 0.109269
C -2.130149 0.005202 0.243352
C -2.565494 1.367457 0.048455
C -2.070546 3.868171 -0.108013
C -3.057482 -1.157332 0.167889
C -1.618598 4.398813 -1.497157
C -4.343642 -1.042306 -0.427100
C -2.663102 -2.420802 0.690256
C -5.211244 -2.154084 -0.490478
C -3.529237 -3.529559 0.624750
C -4.810611 -3.402781 0.035993
H 1.764444 -0.373935 -1.122242
H 2.341886 1.302979 -0.842585
H 3.569832 -2.138792 -0.964245
H 3.022011 -2.023771 0.743633
H 4.616388 1.470924 -1.027073
H 4.557100 -0.010969 -2.050256
H 1.884378 1.164728 1.550469
H 1.407498 -0.573037 1.427249
H 5.342218 -1.627757 1.525361
H 5.315428 -3.122861 0.503692
H 6.873606 0.276428 -1.209503
H 6.269514 0.417311 0.492133
H -3.625586 1.572992 -0.131236
H -3.166633 3.972993 -0.004394
H -1.590626 4.490542 0.670499
H -2.071666 3.811122 -2.315972
H -0.520695 4.344322 -1.586921
H -1.922744 5.453759 -1.619804
H -4.671857 -0.092872 -0.863557
H -1.672141 -2.511292 1.144443
H -6.197020 -2.045877 -0.956273
H -3.209160 -4.493296 1.036255
H -5.485273 -4.264545 -0.012438


