%chk=000212680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212680

0 1
O 0.414936 -1.902824 -0.965100
O 1.459759 -2.314097 0.997945
N -3.986586 0.055853 0.287303
C -5.055461 2.611106 -0.682856
C -3.866219 1.916555 -1.356511
C -5.133058 2.202619 0.793088
C -3.936587 0.391810 -1.174858
C -5.188250 0.673225 0.944247
C -4.010921 -1.436190 0.497446
C -2.777480 -2.028109 0.028106
C 1.858372 -0.206473 -0.261484
C 1.108053 0.831524 0.554664
C 3.356714 -0.196575 -0.063449
C -0.478745 -3.070093 -0.792987
C -1.746520 -2.527537 -0.350528
C 1.277761 -1.579042 0.060067
C 1.775596 1.814341 1.294955
C 3.939110 -0.737423 1.092836
C -0.297383 0.812106 0.534354
C 4.172745 0.376874 -1.050184
C -0.529639 -3.704733 -2.173749
C 1.041832 2.764361 2.014386
C 5.325627 -0.707240 1.256573
C -1.023511 1.754949 1.262145
C 5.559839 0.406088 -0.879533
C -0.354996 2.736162 2.003058
C 6.138602 -0.135159 0.272327
H -4.954423 3.708894 -0.769398
H -5.995975 2.347269 -1.202151
H -3.833773 2.160099 -2.433951
H -2.916944 2.294695 -0.923666
H -4.248818 2.595007 1.335036
H -6.019254 2.654446 1.274678
H -4.799615 -0.019671 -1.740012
H -3.017683 -0.073226 -1.597803
H -5.159795 0.408449 2.023812
H -6.147791 0.288744 0.536673
H -4.883097 -1.938991 0.010520
H -4.106331 -1.620994 1.599623
H 1.631892 0.011939 -1.348306
H -0.026926 -3.746312 -0.022284
H 2.864677 1.845761 1.319221
H 3.303396 -1.193035 1.858589
H -0.835036 0.053720 -0.042282
H 3.731279 0.803137 -1.949208
H -0.821075 -2.971146 -2.938657
H 0.453376 -4.096602 -2.464816
H -1.252717 -4.528364 -2.206340
H 1.566557 3.525866 2.588616
H 5.772998 -1.132221 2.153996
H -2.116502 1.709702 1.251479
H 6.189813 0.851627 -1.647438
H -0.920806 3.471274 2.570204
H 7.218583 -0.112748 0.402506


%chk=000212680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212680

0 1
O 0.535712 -1.746875 -1.238519
O 1.248535 -2.152281 0.949076
N -4.122605 -0.015385 0.269235
C -5.489994 2.465612 -0.532045
C -4.341606 1.853696 -1.367222
C -5.354923 2.042833 0.948986
C -4.274696 0.326303 -1.171012
C -5.256856 0.509861 1.076056
C -3.964098 -1.482318 0.483236
C -2.732735 -2.020409 -0.122774
C 2.005354 -0.108995 -0.270002
C 1.282317 1.008328 0.523657
C 3.491469 -0.265804 0.058706
C -0.403430 -2.936896 -1.146565
C -1.685724 -2.465429 -0.598928
C 1.258988 -1.437734 -0.074492
C 2.006617 2.097451 1.067608
C 3.923600 -0.664077 1.350438
C -0.131184 0.997244 0.649385
C 4.462492 -0.003845 -0.938587
C -0.490743 -3.508890 -2.566840
C 1.332137 3.150137 1.727612
C 5.299971 -0.800543 1.631242
C -0.804402 2.045311 1.313290
C 5.842220 -0.136684 -0.657665
C -0.075432 3.128578 1.855464
C 6.265041 -0.536589 0.630027
H -5.490117 3.568291 -0.620802
H -6.463872 2.109226 -0.928062
H -4.477227 2.078557 -2.442450
H -3.375779 2.294260 -1.053120
H -4.440036 2.494138 1.380295
H -6.217136 2.405237 1.541088
H -5.203842 -0.144211 -1.592230
H -3.412461 -0.095269 -1.717521
H -5.095312 0.225198 2.133127
H -6.229437 0.051857 0.749548
H -4.843438 -2.055117 0.084775
H -3.933337 -1.663382 1.575442
H 1.913258 0.141200 -1.343858
H 0.058762 -3.655821 -0.443200
H 3.098066 2.121267 0.982620
H 3.178091 -0.877733 2.122888
H -0.722423 0.173538 0.233939
H 4.138285 0.306635 -1.939768
H -0.884003 -2.753311 -3.266759
H 0.509077 -3.826246 -2.907966
H -1.165206 -4.382772 -2.577004
H 1.908542 3.984671 2.143320
H 5.620691 -1.113702 2.631259
H -1.896007 1.998528 1.402124
H 6.580737 0.070647 -1.440313
H -0.595436 3.943167 2.372574
H 7.333136 -0.642055 0.851590


