%chk=000196953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196953

0 1
O 3.370369 2.278941 -0.766657
O -1.489686 3.573443 -0.478282
O -2.851072 1.255145 -1.651798
N 2.684043 -0.715989 -0.723298
N 1.541941 1.700804 0.515939
N -1.873450 -1.714125 0.207188
N -4.711509 -1.123517 0.123025
C 3.424948 0.079361 0.314135
C -0.418098 -0.187934 -0.713475
C 0.346262 -1.285991 -0.187393
C 0.085134 1.028868 -1.395994
C 0.507837 2.178681 -0.443661
C 4.972615 0.073770 0.272390
C 1.726877 -1.644818 -0.138475
C -1.778099 -0.470664 -0.468858
C -0.599155 -2.223354 0.370268
C 2.834559 1.466030 -0.047372
C -0.669644 2.765189 0.365291
C 2.101874 -2.841768 0.446513
C 5.511818 1.156673 1.214158
C 5.523524 -1.299308 0.671350
C 3.489457 -1.319125 -1.816504
C -0.205673 -3.450026 0.969226
C -2.934493 0.327006 -0.865020
C 1.138098 -3.735875 0.994103
C -4.291609 0.039012 -0.266915
C -5.293374 1.172483 -0.136171
C -6.534536 0.468440 0.453430
C -6.113506 -1.019801 0.602217
H 3.115822 -0.224662 1.347627
H 0.963608 0.757193 -2.030145
H -0.681341 1.416461 -2.108698
H 0.954284 3.005514 -1.067549
H 5.306239 0.321732 -0.767500
H 1.182691 0.952542 1.120258
H -2.746836 -2.164306 0.453677
H -0.308260 3.486347 1.126875
H -1.282600 1.987085 0.849444
H 3.151363 -3.124380 0.496421
H 5.165694 1.028185 2.243981
H 6.607484 1.150557 1.234668
H 5.208748 2.160431 0.879627
H 5.204419 -1.592677 1.677227
H 6.620209 -1.294540 0.670702
H 5.202218 -2.084357 -0.026294
H 4.012400 -0.506758 -2.353097
H 2.806489 -1.803937 -2.534952
H 4.236054 -2.061596 -1.485135
H -0.949944 -4.124142 1.380269
H 1.494856 -4.665907 1.439933
H -4.913543 1.980389 0.514101
H -5.491987 1.640679 -1.119201
H -6.821302 0.903438 1.423976
H -7.408481 0.572903 -0.209389
H -6.164993 -1.371092 1.652506
H -6.750764 -1.699505 -0.000075
H -1.929480 3.016551 -1.170416


%chk=000196953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196953

0 1
O 3.469737 2.089014 -0.998369
O -1.291066 3.703376 0.038294
O -2.890145 1.750394 -1.081528
N 2.760304 -0.922882 -0.454341
N 1.839405 1.669759 0.621543
N -1.964647 -1.446997 0.475204
N -4.607298 -1.092413 0.303951
C 3.644791 -0.001294 0.316320
C -0.415311 -0.021092 -0.481118
C 0.282027 -1.160109 0.090678
C 0.148096 1.208270 -1.151982
C 0.741020 2.284760 -0.158205
C 5.148959 -0.111210 -0.021289
C 1.669467 -1.568574 0.212073
C -1.806255 -0.240627 -0.225454
C -0.726703 -2.004579 0.716601
C 3.042547 1.391837 -0.025299
C -0.298096 2.938198 0.776368
C 1.958113 -2.684042 1.027723
C 5.953913 0.894838 0.834993
C 5.660618 -1.554367 0.178956
C 2.818964 -0.913159 -1.927449
C -0.417154 -3.146576 1.491365
C -2.966288 0.566499 -0.574604
C 0.941725 -3.455786 1.662695
C -4.355456 0.029093 -0.340587
C -5.582781 0.810581 -0.788993
C -6.734697 -0.203989 -0.526402
C -6.087491 -1.276959 0.408410
H 3.496519 -0.232947 1.389495
H 0.971044 0.936687 -1.834631
H -0.633605 1.698150 -1.756517
H 1.191285 3.075955 -0.782303
H 5.274869 0.177605 -1.083328
H 1.549532 1.008566 1.349411
H -2.922882 -1.771474 0.718188
H 0.222851 3.664489 1.423694
H -0.774500 2.171066 1.430206
H 3.006295 -2.987555 1.120564
H 5.836059 0.681150 1.915754
H 7.031115 0.829200 0.596687
H 5.627289 1.931283 0.643481
H 5.609505 -1.848523 1.246045
H 6.715491 -1.640017 -0.140204
H 5.062761 -2.278520 -0.403288
H 2.978905 0.106721 -2.329520
H 1.874482 -1.311343 -2.335301
H 3.643492 -1.556906 -2.298157
H -1.205185 -3.750744 1.951395
H 1.230149 -4.326321 2.262266
H -5.670553 1.733951 -0.185403
H -5.497799 1.136852 -1.838559
H -7.617825 0.268411 -0.066801
H -7.057031 -0.670313 -1.473487
H -6.368760 -1.143036 1.471495
H -6.343215 -2.315627 0.134819
H -1.888089 3.074976 -0.467354


