%chk=000270878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270878

0 1
O -2.145494 2.695468 -0.440192
O -0.511544 1.658101 -3.041065
O -4.121889 1.092189 1.359992
O -1.867066 -2.089823 -0.634312
N -0.070586 3.799148 -0.306518
N -0.327581 -0.441235 -0.282294
N 0.773630 5.681572 0.728447
N 1.019170 2.069433 1.163862
N 0.222236 -2.103109 2.062143
N 2.409858 3.062196 2.917334
N 2.698142 5.396443 3.165911
C -1.178106 0.560305 -0.945780
C -0.320893 1.664759 -1.623694
C -2.085791 1.321113 0.060222
C -0.965205 3.008381 -1.178703
C -3.531804 0.820601 0.086764
C 0.727344 3.348194 0.755920
C -0.820331 -1.739881 -0.111454
C -0.016555 5.240213 -0.249818
C 0.098739 -2.680615 0.697918
C 1.256182 4.532136 1.380538
C -0.449494 -4.123837 0.663199
C 2.125875 4.350431 2.496792
C 0.039964 -4.862317 -0.553055
C 1.852281 2.013487 2.242162
C -0.616673 -4.696571 -1.782461
C 1.150923 -5.713948 -0.467126
C -0.166943 -5.381111 -2.912940
C 1.596725 -6.396852 -1.602906
C 0.940024 -6.232860 -2.826022
H -1.806793 0.047349 -1.728951
H 0.765341 1.585492 -1.400786
H -1.650119 1.370837 1.084109
H -1.310037 3.636983 -2.038428
H 0.385351 -0.070389 0.365905
H -3.578365 -0.289404 0.016563
H -4.137475 1.278382 -0.716803
H -0.113971 0.850042 -3.435049
H -0.566500 5.848506 -0.955917
H 1.121085 -2.666075 0.224607
H -4.215733 2.061586 1.487828
H -0.164369 -4.666028 1.585475
H -1.564505 -4.105608 0.666594
H -0.662916 -2.148665 2.563648
H 0.905390 -2.620117 2.609798
H 2.107050 1.005756 2.617590
H -1.478789 -4.025243 -1.847026
H 1.666678 -5.849364 0.480322
H 3.296324 5.235862 3.961594
H 2.492735 6.346983 2.896072
H -0.681002 -5.252389 -3.864228
H 2.457640 -7.059356 -1.532652
H 1.287340 -6.766853 -3.707728


%chk=000270878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270878

0 1
O -2.303398 2.947905 0.098919
O -0.999799 1.072811 -2.503682
O -4.188875 2.618197 2.254366
O -0.976930 -1.589187 -1.740122
N -0.022593 3.610253 -0.387176
N -1.582795 -0.664301 0.312415
N 1.502745 5.327031 -0.262830
N 0.737420 2.264690 1.575709
N -1.243548 -2.888857 1.688169
N 2.669004 3.294998 2.700445
N 3.647327 5.320449 1.974227
C -2.018011 0.613488 -0.254026
C -0.905862 1.341709 -1.080960
C -2.434793 1.639775 0.816087
C -1.189689 2.851528 -0.857405
C -3.887729 1.566369 1.283148
C 0.797187 3.325485 0.714850
C -1.102560 -1.675004 -0.466215
C 0.445766 4.824840 -0.921959
C -0.672192 -2.938694 0.318394
C 1.731321 4.394738 0.768294
C -0.970741 -4.250349 -0.502207
C 2.696867 4.349789 1.816884
C 0.266096 -4.884024 -1.129277
C 1.711799 2.333422 2.533458
C 0.955067 -4.230591 -2.186147
C 0.761378 -6.127210 -0.658825
C 2.111142 -4.809915 -2.754150
C 1.919896 -6.707573 -1.226327
C 2.599492 -6.049343 -2.276232
H -2.860693 0.443116 -0.957552
H 0.083159 1.059342 -0.671996
H -1.730616 1.632849 1.671754
H -1.521786 3.311233 -1.802794
H -1.588689 -0.881084 1.323244
H -4.077078 0.616526 1.812625
H -4.556855 1.629302 0.398066
H -0.966190 0.069581 -2.581828
H -0.020126 5.279214 -1.794241
H 0.426214 -2.853910 0.430422
H -3.929151 3.484221 1.846277
H -1.441327 -4.974341 0.188818
H -1.706071 -4.012480 -1.293153
H -2.196373 -3.267931 1.748577
H -0.635584 -3.300259 2.402827
H 1.729631 1.517253 3.262038
H 0.569691 -3.272375 -2.554137
H 0.234353 -6.648189 0.150922
H 4.310847 5.242911 2.742230
H 3.679455 6.107370 1.329369
H 2.629750 -4.296676 -3.572152
H 2.287736 -7.670227 -0.852829
H 3.496209 -6.497576 -2.718909


