%chk=000254053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254053

0 1
O -0.099955 0.070158 1.467565
N 3.254246 -1.764530 1.321650
N -1.742065 -2.290224 1.319792
C -0.217892 0.547218 0.119242
C 0.603134 -0.311263 -0.849190
C -1.716242 0.580831 -0.224052
C 0.411392 1.944796 0.184413
C 1.857787 -0.852789 -0.512424
C -2.514738 -0.579801 -0.305880
C 2.562113 -0.541835 0.788282
C -1.993983 -1.990797 -0.130734
C 0.106528 -0.507040 -2.152351
C -2.329301 1.828218 -0.430371
C 2.539332 -1.649424 -1.454568
C -3.886854 -0.460345 -0.593147
C 0.890226 2.574201 -0.973581
C 0.511615 2.600233 1.420274
C 0.795530 -1.283107 -3.081395
C -3.690949 1.937523 -0.717152
C 2.013122 -1.873853 -2.723031
C -4.476459 0.786058 -0.799824
C 1.463699 3.846136 -0.892910
C 1.088460 3.870440 1.497437
C 1.564535 4.496283 0.341166
C 2.265569 -2.683776 1.960015
C 4.300934 -1.368909 2.312610
C -1.059294 -3.611744 1.456085
C -3.002441 -2.261270 2.117870
H 3.325553 0.242570 0.572604
H 1.863099 -0.086899 1.534366
H -2.692234 -2.718540 -0.602176
H -1.027025 -2.117342 -0.675385
H -0.837418 -0.045297 -2.448060
H -1.741307 2.747511 -0.363591
H -0.581786 -0.809752 1.598956
H 3.498711 -2.091614 -1.171893
H -4.502613 -1.356792 -0.655318
H 0.822366 2.073609 -1.939569
H 0.138794 2.103079 2.320439
H 0.391913 -1.426210 -4.080785
H -4.136242 2.918311 -0.872754
H 2.551353 -2.493370 -3.437520
H -5.539142 0.859758 -1.022331
H 1.835287 4.329440 -1.794396
H 1.165949 4.372128 2.459954
H 2.013069 5.485476 0.401231
H 1.487127 -2.948557 1.216808
H 1.755459 -2.269932 2.843101
H 2.778394 -3.612591 2.250903
H 4.806312 -2.275610 2.680616
H 3.928774 -0.805179 3.180567
H 5.062991 -0.758422 1.802457
H -0.042345 -3.529451 1.016633
H -1.579733 -4.453892 0.978642
H -0.929073 -3.851217 2.523339
H -3.450195 -1.254171 2.045768
H -2.761505 -2.430796 3.179373
H -3.758784 -2.997137 1.810832


%chk=000254053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254053

0 1
O -0.342055 -0.157204 1.495360
N 3.560529 -1.575385 1.227855
N -1.923716 -2.207768 1.356887
C -0.312778 0.427928 0.145080
C 0.534343 -0.437273 -0.842688
C -1.799060 0.578191 -0.324462
C 0.370607 1.810340 0.302447
C 1.835282 -0.926745 -0.492552
C -2.698692 -0.543980 -0.386749
C 2.525415 -0.582056 0.831218
C -2.287534 -1.983405 -0.085746
C 0.052020 -0.686190 -2.155428
C -2.316252 1.855942 -0.653287
C 2.561085 -1.688810 -1.443352
C -4.045604 -0.331595 -0.773585
C 0.986350 2.463638 -0.794320
C 0.358479 2.456074 1.562711
C 0.789717 -1.438276 -3.095315
C -3.662657 2.051215 -1.034115
C 2.051830 -1.955830 -2.731475
C -4.539701 0.950422 -1.098391
C 1.578515 3.737346 -0.634407
C 0.950286 3.728742 1.725003
C 1.562259 4.377086 0.626585
C 2.965166 -2.836208 1.714382
C 4.524225 -1.013280 2.193675
C -1.261096 -3.522655 1.553824
C -3.074959 -2.014144 2.276415
H 3.037041 0.392575 0.696888
H 1.756750 -0.433512 1.619125
H -3.112495 -2.669830 -0.378805
H -1.395920 -2.258766 -0.676503
H -0.923396 -0.282925 -2.448804
H -1.650982 2.722113 -0.612692
H -0.944017 -1.028542 1.508121
H 3.548689 -2.050590 -1.134906
H -4.719479 -1.196335 -0.822711
H 1.012697 1.973594 -1.773944
H -0.104598 1.931480 2.402654
H 0.381562 -1.612311 -4.097641
H -4.016349 3.058887 -1.279407
H 2.639254 -2.544942 -3.445424
H -5.586222 1.081953 -1.394345
H 2.054171 4.225918 -1.492749
H 0.935767 4.213576 2.708280
H 2.024095 5.363323 0.751933
H 2.312312 -3.263122 0.932343
H 2.351770 -2.701980 2.642414
H 3.764648 -3.568036 1.931231
H 5.310691 -1.759449 2.410351
H 4.058426 -0.712811 3.166889
H 5.008353 -0.120413 1.759227
H -0.353969 -3.572756 0.927295
H -1.926926 -4.374099 1.289210
H -0.960678 -3.627008 2.610573
H -3.495023 -1.005966 2.131017
H -2.726116 -2.100651 3.319775
H -3.878262 -2.764995 2.103636


