%chk=000217019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217019

0 1
O -2.366258 2.193887 0.204533
O 2.371822 2.191184 0.540773
O -0.156783 -0.998341 2.649577
N -1.283683 0.611049 1.429943
N 1.127334 0.599033 1.582523
C 0.035889 2.127334 -0.108973
C 0.059641 3.681264 -0.153355
C -1.306016 1.685803 0.496271
C 1.279864 1.685221 0.671056
C 0.079200 1.556699 -1.525503
C -0.108016 -0.025532 1.923746
C -2.597478 0.014712 1.849304
C 2.372916 -0.014097 2.155515
C -0.000329 4.315926 1.229441
C -0.948563 1.899525 -2.421096
C 1.106796 0.704704 -1.951035
C -3.019784 -1.061425 0.881036
C 2.932751 -1.037552 1.199456
C -0.940669 1.403692 -3.725370
C 1.108716 0.209555 -3.259722
C 0.089860 0.557639 -4.149490
C -3.833010 -0.738798 -0.214389
C 2.462762 -2.358035 1.234259
C -2.595236 -2.383504 1.075681
C 3.915855 -0.665942 0.271467
C -4.236897 -1.741924 -1.099532
C 2.989657 -3.306737 0.354132
C -3.002134 -3.382232 0.187438
C 4.439820 -1.619304 -0.605561
C -3.825639 -3.063632 -0.897743
C 3.980020 -2.939792 -0.563346
H -0.794026 4.037399 -0.768231
H 0.984246 4.000104 -0.682024
H -2.489892 -0.392414 2.883119
H -3.351267 0.837899 1.895645
H 3.105483 0.806219 2.350388
H 2.125659 -0.475643 3.141691
H 0.000777 5.411680 1.150713
H 0.864222 4.045744 1.848900
H -0.911333 4.039817 1.774424
H -1.767724 2.545358 -2.091817
H 1.921556 0.412569 -1.284736
H -1.741518 1.674722 -4.412301
H 1.911924 -0.453260 -3.580905
H 0.095258 0.170554 -5.166981
H -4.139423 0.295736 -0.378369
H 1.679284 -2.636818 1.942720
H -1.938110 -2.624443 1.914297
H 4.264784 0.367873 0.232658
H -4.870609 -1.492456 -1.948694
H 2.626648 -4.332895 0.382469
H -2.675145 -4.409287 0.339782
H 5.207862 -1.332521 -1.321947
H -4.143235 -3.843598 -1.587120
H 4.391670 -3.681618 -1.245219


%chk=000217019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217019

0 1
O -2.365740 2.312509 0.429141
O 2.381846 2.230530 0.686626
O -0.156324 -1.211698 2.523372
N -1.276884 0.520301 1.425280
N 1.126833 0.491486 1.566748
C 0.038562 2.099478 -0.031865
C 0.081660 3.646561 -0.240836
C -1.289073 1.690137 0.635690
C 1.266650 1.650634 0.774209
C 0.067609 1.386582 -1.428301
C -0.105247 -0.143067 1.854583
C -2.594256 -0.046256 1.877259
C 2.368101 -0.103455 2.170464
C 0.031177 4.467938 1.063689
C -1.059055 1.507421 -2.283061
C 1.203843 0.672717 -1.884258
C -3.209199 -1.001700 0.861722
C 3.114315 -1.014470 1.202963
C -1.047022 0.925839 -3.568285
C 1.209957 0.089457 -3.171535
C 0.087536 0.212821 -4.019200
C -4.162527 -0.531832 -0.076889
C 2.697184 -2.358097 1.019399
C -2.847749 -2.373410 0.856114
C 4.238809 -0.533445 0.485283
C -4.743098 -1.419286 -1.010585
C 3.391268 -3.204911 0.127478
C -3.427545 -3.259839 -0.078095
C 4.934835 -1.382132 -0.405709
C -4.376758 -2.785170 -1.013584
C 4.512047 -2.719543 -0.587194
H -0.772421 3.915047 -0.885827
H 1.010163 3.871068 -0.794334
H -2.397445 -0.558995 2.831445
H -3.251806 0.821183 2.046150
H 2.999382 0.747205 2.472897
H 2.037416 -0.660885 3.060348
H 0.063324 5.546894 0.828683
H 0.895476 4.245419 1.714006
H -0.901845 4.278517 1.623920
H -1.948170 2.047930 -1.940299
H 2.094984 0.570217 -1.257551
H -1.926254 1.026316 -4.214238
H 2.096057 -0.461299 -3.505901
H 0.094877 -0.241688 -5.016041
H -4.439070 0.528880 -0.074137
H 1.828794 -2.729412 1.575915
H -2.109595 -2.734531 1.581417
H 4.556698 0.506557 0.621193
H -5.480809 -1.048140 -1.730968
H 3.063093 -4.241622 -0.007523
H -3.143993 -4.318363 -0.074906
H 5.804668 -1.002313 -0.953390
H -4.828596 -3.474139 -1.736310
H 5.052816 -3.378847 -1.275672


