%chk=000261332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261332

0 1
S 0.497575 3.539742 1.173585
N -2.269013 -0.921004 0.690779
N -0.038554 1.038178 0.631392
C -1.292307 -0.831347 -0.444418
C -1.794239 -0.195791 1.900702
C 0.085750 -0.297250 -0.013468
C -1.174188 1.176333 1.592735
C -3.646532 -0.777652 0.316503
C 0.783325 2.084422 0.398171
C 1.937875 1.986505 -0.557517
C 2.964222 0.954451 -0.170340
C -4.588721 -0.186799 1.181082
C -4.088371 -1.349692 -0.898791
C 3.437289 -0.003032 -1.135780
C -5.948389 -0.169291 0.843332
C 3.468125 0.945598 1.112040
C 4.404755 -0.960892 -0.731655
C -5.444353 -1.321677 -1.221556
C -6.379333 -0.734985 -0.366082
C 2.977406 -0.027538 -2.491825
C 4.440913 -0.014547 1.506193
C 4.896760 -0.949152 0.611785
C -6.929194 0.461563 1.778887
C 4.878375 -1.925639 -1.679014
C 3.448306 -0.959373 -3.381327
C 4.411413 -1.925860 -2.968509
H -1.689873 -0.199841 -1.272619
H -1.168404 -1.865892 -0.844158
H -1.052764 -0.861526 2.402854
H -2.626735 -0.069221 2.633165
H 0.577904 -0.999285 0.702013
H 0.750042 -0.249716 -0.906041
H -1.933198 1.872060 1.158431
H -0.814699 1.656009 2.537729
H 1.558440 1.832102 -1.595218
H 2.454786 2.982771 -0.613213
H -4.270095 0.255920 2.122991
H -3.393100 -1.837070 -1.573967
H 3.131974 1.681363 1.846926
H -5.779516 -1.767885 -2.158641
H -7.430677 -0.720312 -0.635905
H 2.250354 0.723056 -2.809442
H 5.639996 -1.689241 0.904186
H 4.814503 0.012081 2.529779
H -6.927628 -0.042161 2.756165
H -6.687150 1.519200 1.957363
H -7.959431 0.427429 1.401424
H 5.619026 -2.654980 -1.352534
H 3.100971 -0.973923 -4.413441
H 4.768081 -2.654909 -3.694752


%chk=000261332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261332

0 1
S 1.418540 3.959509 0.924473
N -2.573349 0.406406 0.227291
N 0.049406 1.716780 0.224111
C -1.664967 0.321530 -0.928186
C -2.047597 1.070661 1.431588
C -0.197316 0.428422 -0.473412
C -1.070933 2.203531 1.071834
C -3.847357 -0.186911 0.196067
C 1.207447 2.448224 0.124435
C 2.335485 1.877394 -0.734281
C 2.970368 0.587818 -0.199727
C -4.598414 -0.393400 1.394298
C -4.426910 -0.606000 -1.040971
C 3.655302 -0.322897 -1.092345
C -5.884133 -0.981133 1.372125
C 2.935570 0.303708 1.171698
C 4.259988 -1.525699 -0.544541
C -5.702487 -1.203957 -1.057916
C -6.437480 -1.394510 0.132775
C 3.778939 -0.092301 -2.505726
C 3.542388 -0.872922 1.707824
C 4.186311 -1.777660 0.864674
C -6.667391 -1.157326 2.663537
C 4.930953 -2.440468 -1.422596
C 4.442135 -1.000403 -3.335499
C 5.020745 -2.189685 -2.792482
H -1.878345 1.107838 -1.685846
H -1.790829 -0.659217 -1.426785
H -1.553745 0.350487 2.122044
H -2.883617 1.531471 1.988469
H 0.051207 -0.416693 0.198102
H 0.457162 0.348029 -1.354314
H -1.599055 3.020701 0.542470
H -0.640474 2.650625 1.986374
H 1.962537 1.726056 -1.767004
H 3.104439 2.667049 -0.797867
H -4.169036 -0.121858 2.364887
H -3.900806 -0.442685 -1.986456
H 2.441445 1.008102 1.850486
H -6.130230 -1.517148 -2.017673
H -7.429261 -1.859864 0.104038
H 3.364353 0.819721 -2.946932
H 4.649420 -2.686452 1.266877
H 3.497760 -1.057108 2.786772
H -6.000657 -1.206200 3.542543
H -7.363728 -0.311047 2.823608
H -7.274246 -2.080073 2.643395
H 5.379108 -3.345063 -0.994069
H 4.525851 -0.799428 -4.409287
H 5.537205 -2.894652 -3.452882


