%chk=000216680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216680

0 1
N 4.753401 0.569272 0.526991
C -0.097957 1.086930 -0.800161
C 0.950089 1.051722 0.349771
C -1.470724 1.295966 -0.149060
C -0.105380 -0.261336 -1.526007
C 0.222830 2.236072 -1.769912
C 2.375278 0.771819 -0.135078
C -2.209876 0.184384 0.320482
C -0.577727 -1.393725 -0.694799
C -1.634850 -1.171050 0.217597
C 3.351000 0.683586 1.051841
C -1.998498 2.581686 0.021214
C -3.479167 0.384560 0.885972
C 0.258088 -0.445573 -2.798172
C 0.005170 -2.664043 -0.791653
C -2.087753 -2.233955 1.013316
C -3.256020 2.772289 0.601309
C -4.003308 1.671313 1.024417
C -0.458292 -3.715037 0.004686
C -1.504825 -3.499350 0.905086
C 5.027337 -0.808380 0.019050
C 5.737399 0.925496 1.593868
H 0.916692 2.016625 0.891185
H 0.648726 0.281559 1.088590
H 0.295422 3.197120 -1.247678
H 1.185371 2.078015 -2.271841
H -0.547790 2.331999 -2.543643
H 2.402054 -0.167277 -0.722106
H 2.715508 1.565884 -0.830040
H 3.277380 1.613463 1.656925
H 3.066783 -0.153727 1.723302
H -1.429389 3.453894 -0.302084
H -4.066078 -0.471351 1.218948
H 0.602042 0.338741 -3.454279
H 0.226083 -1.408322 -3.288138
H 0.827622 -2.831850 -1.485838
H -2.895565 -2.074774 1.727103
H -3.651843 3.779314 0.718511
H -4.989001 1.813520 1.462694
H -0.001875 -4.699666 -0.076053
H -1.865890 -4.316623 1.526861
H 4.967051 -1.602618 0.776946
H 6.033546 -0.829791 -0.428330
H 4.310586 -1.043933 -0.784509
H 6.755283 0.865224 1.176523
H 5.696597 0.295364 2.493724
H 5.575972 1.973467 1.892970


%chk=000216680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216680

0 1
N 4.777841 0.587222 0.676220
C -0.121123 1.094995 -0.898223
C 0.952183 1.077603 0.265176
C -1.497835 1.315701 -0.220951
C -0.155876 -0.284524 -1.586071
C 0.229545 2.230159 -1.887208
C 2.410667 0.840519 -0.183382
C -2.167934 0.208941 0.393140
C -0.592665 -1.406873 -0.706943
C -1.576029 -1.151965 0.301000
C 3.339020 0.645332 1.033857
C -2.083353 2.600473 -0.134574
C -3.404411 0.431959 1.056096
C 0.174531 -0.499798 -2.890025
C -0.047317 -2.709426 -0.835102
C -1.972297 -2.215290 1.154887
C -3.306932 2.811295 0.539484
C -3.972007 1.718848 1.138131
C -0.464177 -3.760322 0.007694
C -1.428955 -3.508030 1.011807
C 5.131418 -0.607011 -0.117555
C 5.643763 0.723137 1.865534
H 0.874580 2.048336 0.795189
H 0.667174 0.296246 0.996330
H 0.362658 3.188516 -1.354828
H 1.180791 2.021227 -2.404301
H -0.557286 2.362347 -2.651425
H 2.445956 -0.047762 -0.842583
H 2.791743 1.698459 -0.768389
H 3.205320 1.503907 1.721929
H 3.016753 -0.272193 1.596969
H -1.587177 3.455983 -0.601270
H -3.945824 -0.414316 1.491867
H 0.496923 0.304165 -3.556554
H 0.097112 -1.497602 -3.336815
H 0.729128 -2.888840 -1.587010
H -2.699283 -2.031125 1.952538
H -3.739929 3.816759 0.585926
H -4.928895 1.865168 1.651132
H -0.027582 -4.759223 -0.100981
H -1.744634 -4.311136 1.686864
H 4.927329 -1.568640 0.421831
H 6.207230 -0.576599 -0.367312
H 4.566464 -0.620069 -1.064576
H 6.703111 0.760435 1.552831
H 5.532090 -0.116778 2.599587
H 5.409693 1.666694 2.390561


