%chk=000210006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210006

1 1
O -0.734985 -0.597214 -0.125213
N -5.487071 -1.019837 -0.462328
N -0.971776 2.249792 -0.090284
N 3.996604 -0.289731 0.138325
C 0.228079 1.656387 -0.033440
C 1.460381 2.447787 0.053473
C 2.717066 1.791903 0.112515
C 0.378338 0.216419 -0.050705
C -4.379554 -0.240372 -0.325275
C -1.985016 0.017756 -0.184569
C 2.783335 0.323553 0.083593
C -2.066254 1.453816 -0.165771
C 1.587556 -0.437574 0.004074
C -3.070775 -0.820680 -0.254219
C -6.868526 -0.445404 -0.451831
C -5.411157 -2.513333 -0.420736
C -4.488386 1.210201 -0.302036
C -3.393889 2.017083 -0.229101
C 1.402631 3.858892 0.078665
C 3.889912 2.585192 0.195550
C 2.565282 4.609378 0.160781
C 3.818602 3.967294 0.219628
C -7.371478 -0.200027 0.964295
C -5.354434 -3.040563 1.006851
C 4.196592 -1.729453 0.079749
C 4.716054 -2.378002 1.209650
C 3.916679 -2.424208 -1.105837
C 4.962766 -3.751887 1.139474
C 4.170092 -3.797696 -1.153788
C 4.691513 -4.459762 -0.036735
H 1.618076 -1.531375 -0.000130
H -2.928226 -1.901321 -0.256071
H -6.880754 0.499373 -1.046357
H -7.545278 -1.152729 -0.988223
H -6.302846 -2.923921 -0.951812
H -4.523032 -2.853149 -1.005178
H -5.484239 1.659829 -0.348026
H -3.481795 3.110217 -0.214297
H 0.426738 4.355624 0.032371
H 4.871409 2.107615 0.240786
H 4.855123 0.267746 0.234915
H 2.516681 5.701904 0.180080
H 4.728883 4.567667 0.283568
H -6.743147 0.508497 1.519653
H -7.411532 -1.125883 1.556286
H -8.390321 0.214661 0.951921
H -5.303962 -4.139006 1.017368
H -6.243129 -2.756183 1.588772
H -4.479276 -2.672026 1.558008
H 4.923586 -1.829612 2.128483
H 3.517556 -1.906168 -1.978099
H 5.369873 -4.273368 2.008828
H 3.963991 -4.354162 -2.070709
H 4.890137 -5.532741 -0.083691


%chk=000210006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210006

1 1
O -0.805257 -0.639151 -0.122724
N -5.630922 -0.994704 -0.437050
N -1.007000 2.214131 -0.078031
N 3.981018 -0.365430 0.317930
C 0.206120 1.597869 -0.016436
C 1.433416 2.383903 0.082390
C 2.710773 1.726714 0.151778
C 0.341817 0.160798 -0.039746
C -4.492515 -0.225811 -0.329737
C -2.066123 -0.015419 -0.185766
C 2.763136 0.256904 0.159878
C -2.125094 1.428130 -0.165223
C 1.565559 -0.498569 0.044568
C -3.188164 -0.828182 -0.257658
C -6.986624 -0.376479 -0.494239
C -5.560236 -2.482764 -0.423253
C -4.570464 1.226220 -0.302175
C -3.431286 2.013600 -0.227341
C 1.367504 3.805021 0.097257
C 3.888048 2.532759 0.200898
C 2.537611 4.573304 0.170970
C 3.806021 3.932845 0.215191
C -7.548201 0.034587 0.885876
C -5.401673 -3.090383 0.989536
C 4.300829 -1.757687 0.171337
C 5.204216 -2.336384 1.098795
C 3.800990 -2.524704 -0.912405
C 5.591496 -3.684692 0.951320
C 4.188520 -3.874710 -1.044139
C 5.080237 -4.460655 -0.115056
H 1.581149 -1.589174 0.077463
H -3.044667 -1.909615 -0.258405
H -6.959825 0.491213 -1.177369
H -7.659277 -1.115427 -0.961394
H -6.489322 -2.857658 -0.884456
H -4.734133 -2.809055 -1.081377
H -5.543126 1.719651 -0.338160
H -3.497807 3.105125 -0.208356
H 0.381633 4.274466 0.045638
H 4.887303 2.082612 0.195709
H 4.759815 0.224147 0.620852
H 2.477542 5.665836 0.182811
H 4.720982 4.532150 0.249281
H -6.893043 0.762809 1.394576
H -7.666318 -0.839487 1.548330
H -8.541895 0.499209 0.757245
H -5.328267 -4.189742 0.912920
H -6.269304 -2.852136 1.627488
H -4.493627 -2.720908 1.496046
H 5.587678 -1.741794 1.936223
H 3.154022 -2.063364 -1.665062
H 6.286956 -4.129114 1.670293
H 3.810098 -4.463109 -1.886265
H 5.382379 -5.506498 -0.227574


